citalopram hydrobromide

Properties Image MNX_ID MNXM120622 reference chebi:3724 formula C20H22BrFN2O global charge 0 mol weight 405.311 InChIKey WIHMBLDNRMIGDW-UHFFFAOYSA-N InChI InChI=1S/C20H21FN2O.BrH/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20;/h4-9,12H,3,10-11,14H2,1-2H3;1H SMILES Br.CN(C)CCCC1(C2=CC=C(F)C=C2)OCC2=C1C=CC(C#N)=C2 MNX internals InChI (mnx) InChI=1/C20H21FN2O.BrH/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20;/h4-9,12H,3,10-11,14H2,1-2H3;1H/t20?; SMILES (mnx) [BrH:25].[CH3:1][N:23]([CH3:2])[CH2:11][CH2:3][CH2:10][C:20]1([C:17]2=[CH:6][CH:8]=[C:18]([F:21])[CH:7]=[CH:5]2)[C:19]2=[C:16]([CH:12]=[C:15]([C:13]#[N:22])[CH:4]=[CH:9]2)[CH2:14][O:24]1

Parent-child relations graph

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