3-(3,3-dimethyl-2-oxidanylidene-1-phenyl-2-benzothiophen-1-yl)-N-methyl-propan-1-amine hydrochloride

Systemtic Name: 3-(3,3-dimethyl-2-oxidanylidene-1-phenyl-2-benzothiophen-1-yl)-N-methyl-propan-1-amine hydrochloride Openeye Name: 3-(3,3-dimethyl-2-oxo-1-phenyl-2-benzothiophen-1-yl)-N-methyl-propan-1-amine hydrochloride CAS Name: 3-(3,3-dimethyl-2-oxo-1-phenyl-2-benzothiophen-1-yl)-N-methyl-1-propanamine hydrochloride IUPAC Name: 3-(3,3-dimethyl-2-oxo-1-phenyl-2-benzothiophen-1-yl)-N-methylpropan-1-amine hydrochloride Traditional Name: 3-(2-keto-3,3-dimethyl-1-phenyl-isobenzothiophen-1-yl)propyl-methyl-amine hydrochloride Formula: C20H26ClNOS MolecularWeight: 363.94454

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2C(S1=O)(CCCNC)C3=CC=CC=C3)C.Cl

Isomeric SMILES

CC1(C2=CC=CC=C2C(S1=O)(CCCNC)C3=CC=CC=C3)C.Cl

InChI

InChI=1S/C20H25NOS.ClH/c1-19(2)17-12-7-8-13-18(17)20(23(19)22,14-9-15-21-3)16-10-5-4-6-11-16;/h4-8,10-13,21H,9,14-15H2,1-3H3;1H