2431 -OEChem-10051719313D 30 30 0 0 0 0 0 0 0999 V2000 -0.3938 2.6054 0.6726 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.8077 -0.4194 0.2389 N 0 3 0 0 0 0 0 0 0 0 0 0 0.6557 -0.3614 1.2316 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8073 0.8414 -0.6134 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6436 -1.6382 -0.6579 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1246 -0.5198 0.9953 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6867 -0.2610 0.5691 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9545 0.7777 -1.5978 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2637 0.9694 0.2677 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3505 -1.4451 0.2593 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5143 1.0163 -0.3483 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6012 -1.3980 -0.3566 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1831 -0.1673 -0.6604 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8515 0.4595 1.9304 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7069 -1.2758 1.8389 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8836 0.9018 -1.1902 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9853 1.6923 0.0449 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5876 -1.8413 -1.1721 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4145 -2.5044 -0.0293 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8546 -1.4587 -1.3931 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0332 -1.3305 1.7256 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9393 -0.7621 0.3089 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3079 0.4268 1.5123 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9329 1.6870 -2.2115 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9394 0.7681 -1.1246 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8846 -0.0555 -2.3015 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9231 -2.4141 0.5009 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9837 1.9658 -0.5928 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1236 -2.3194 -0.5966 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1572 -0.1309 -1.1393 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 4 8 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 9 1 0 0 0 0 7 10 2 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 11 2 0 0 0 0 10 12 1 0 0 0 0 10 27 1 0 0 0 0 11 13 1 0 0 0 0 11 28 1 0 0 0 0 12 13 2 0 0 0 0 12 29 1 0 0 0 0 13 30 1 0 0 0 0 M CHG 1 2 1 M END > DB01158 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/AAQOQKQBGPPFNS-UHFFFAOYSA-N/SDF?record_type=3d > CC[N+](C)(C)CC1=CC=CC=C1Br > InChI=1S/C11H17BrN/c1-4-13(2,3)9-10-7-5-6-8-11(10)12/h5-8H,4,9H2,1-3H3/q+1 > AAQOQKQBGPPFNS-UHFFFAOYSA-N > C11H17BrN > 243.163 > 242.054437196 > 0 > 30 > 0.9999999999738404 > 23.240558368173073 > 1 > 0 > 1 > 0 > [(2-bromophenyl)methyl](ethyl)dimethylazanium > -1.36 > -1.122133453471745 > -6.26 > 0 > 1 > 1 > 1 > 17.582369141840907 > 0.0 > 72.88570000000001 > 3 > 1 > 1.54e-04 g/l > tetrahydrofolic acid > 1 $$$$