Tertatolol hydrochloride

Properties Image MNX_ID MNXM161467 reference keggD:D08572 formula C16H26ClNO2S global charge 0 mol weight 331.909 InChIKey LPBCJDNVLKNRAZ-UHFFFAOYSA-N InChI InChI=1S/C16H25NO2S.ClH/c1-16(2,3)17-10-13(18)11-19-14-8-4-6-12-7-5-9-20-15(12)14;/h4,6,8,13,17-18H,5,7,9-11H2,1-3H3;1H SMILES CC(C)(C)NCC(O)COC1=C2SCCCC2=CC=C1.Cl MNX internals InChI (mnx) InChI=1/C16H25NO2S.ClH/c1-16(2,3)17-10-13(18)11-19-14-8-4-6-12-7-5-9-20-15(12)14;/h4,6,8,13,17-18H,5,7,9-11H2,1-3H3;1H/t13?; SMILES (mnx) [CH3:1][C:16]([CH3:2])([CH3:3])[NH:17][CH2:10][CH:13]([CH2:11][O:19][C:14]1=[CH:8][CH:4]=[CH:6][C:12]2=[C:15]1[S:20][CH2:9][CH2:5][CH2:7]2)[OH:18].[ClH:21]

Parent-child relations graph

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