(S)-SKF 38393 hydrobromide

Properties Image MNX_ID MNXM174226 reference chebi:131804 formula C16H18BrNO2 global charge 0 mol weight 336.229 InChIKey INNWVRBZMBCEJI-UQKRIMTDSA-N InChI InChI=1S/C16H17NO2.BrH/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11;/h1-5,8-9,14,17-19H,6-7,10H2;1H/t14-;/m0./s1 SMILES Br.OC1=CC2=C(C=C1O)[C@H](C1=CC=CC=C1)CNCC2 MNX internals InChI (mnx) InChI=1/C16H17NO2.BrH/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11;/h1-5,8-9,14,17-19H,6-7,10H2;1H/t14-;/m0./s1 SMILES (mnx) [BrH:20].[CH:1]1=[CH:2][CH:4]=[C:11]([C@@H:14]2[CH2:10][NH:17][CH2:7][CH2:6][C:12]3=[CH:8][C:15]([OH:18])=[C:16]([OH:19])[CH:9]=[C:13]32)[CH:5]=[CH:3]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0