Vetrabutine hydrochloride

Properties Image MNX_ID MNXM162112 reference keggD:D08672 formula C20H28ClNO2 global charge 0 mol weight 349.902 InChIKey QNECZQQBXLNFAZ-UHFFFAOYSA-N InChI InChI=1S/C20H27NO2.ClH/c1-16(2)21(14-8-11-17-9-6-5-7-10-17)18-12-13-19(22-3)20(15-18)23-4;/h5-7,9-10,12-13,15-16H,8,11,14H2,1-4H3;1H SMILES COC1=C(OC)C=C(N(CCCC2=CC=CC=C2)C(C)C)C=C1.Cl MNX internals InChI (mnx) InChI=1/C20H27NO2.ClH/c1-16(2)21(14-8-11-17-9-6-5-7-10-17)18-12-13-19(22-3)20(15-18)23-4;/h5-7,9-10,12-13,15-16H,8,11,14H2,1-4H3;1H SMILES (mnx) [CH3:1][CH:16]([CH3:2])[N:21]([CH2:14][CH2:8][CH2:11][C:17]1=[CH:9][CH:6]=[CH:5][CH:7]=[CH:10]1)[C:18]1=[CH:15][C:20]([O:23][CH3:4])=[C:19]([O:22][CH3:3])[CH:13]=[CH:12]1.[ClH:24]

Parent-child relations graph

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