(S,S)-tramadol hydrochloride

Properties Image MNX_ID MNXM149847 reference chebi:75734 formula C16H26ClNO2 global charge 0 mol weight 299.842 InChIKey PPKXEPBICJTCRU-KUARMEPBSA-N InChI InChI=1S/C16H25NO2.ClH/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3;/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3;1H/t14-,16+;/m0./s1 SMILES COC1=CC=CC([C@]2(O)CCCC[C@H]2CN(C)C)=C1.Cl MNX internals InChI (mnx) InChI=1/C16H25NO2.ClH/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3;/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3;1H/t14-,16+;/m0./s1 SMILES (mnx) [CH3:1][N:17]([CH3:2])[CH2:12][C@@H:14]1[CH2:7][CH2:4][CH2:5][CH2:10][C@:16]1([C:13]1=[CH:11][C:15]([O:19][CH3:3])=[CH:9][CH:6]=[CH:8]1)[OH:18].[ClH:20]

Parent-child relations graph

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