1-(5-chloranyl-2-methylsulfanyl-phenyl)-4-(dimethylamino)-1-phenyl-butan-1-ol hydrate hydrochloride

Systemtic Name: 1-(5-chloranyl-2-methylsulfanyl-phenyl)-4-(dimethylamino)-1-phenyl-butan-1-ol hydrate hydrochloride Openeye Name: 1-(5-chloro-2-methylsulfanyl-phenyl)-4-(dimethylamino)-1-phenyl-butan-1-ol hydrate hydrochloride CAS Name: 1-[5-chloro-2-(methylthio)phenyl]-4-(dimethylamino)-1-phenyl-1-butanol hydrate hydrochloride IUPAC Name: 1-(5-chloro-2-methylsulfanylphenyl)-4-(dimethylamino)-1-phenylbutan-1-ol hydrate hydrochloride Traditional Name: 1-[5-chloro-2-(methylthio)phenyl]-4-(dimethylamino)-1-phenyl-butan-1-ol hydrate hydrochloride Formula: C19H27Cl2NO2S MolecularWeight: 404.39418

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCC(C1=CC=CC=C1)(C2=C(C=CC(=C2)Cl)SC)O.O.Cl

Isomeric SMILES

CN(C)CCCC(C1=CC=CC=C1)(C2=C(C=CC(=C2)Cl)SC)O.O.Cl

InChI

InChI=1S/C19H24ClNOS.ClH.H2O/c1-21(2)13-7-12-19(22,15-8-5-4-6-9-15)17-14-16(20)10-11-18(17)23-3;;/h4-6,8-11,14,22H,7,12-13H2,1-3H3;1H;1H2