2-(dimethylaminomethyl)-3-(3,4-dimethylphenyl)sulfanyl-1-(4-phenylmethoxyphenyl)propan-1-one hydrochloride

Systemtic Name: 2-(dimethylaminomethyl)-3-(3,4-dimethylphenyl)sulfanyl-1-(4-phenylmethoxyphenyl)propan-1-one hydrochloride Openeye Name: 1-(4-benzyloxyphenyl)-2-(dimethylaminomethyl)-3-(3,4-dimethylphenyl)sulfanyl-propan-1-one hydrochloride CAS Name: 2-(dimethylaminomethyl)-3-[(3,4-dimethylphenyl)thio]-1-(4-phenylmethoxyphenyl)-1-propanone hydrochloride IUPAC Name: 2-(dimethylaminomethyl)-3-(3,4-dimethylphenyl)sulfanyl-1-(4-phenylmethoxyphenyl)propan-1-one hydrochloride Traditional Name: 1-(4-benzoxyphenyl)-2-(dimethylaminomethyl)-3-[(3,4-dimethylphenyl)thio]propan-1-one hydrochloride Formula: C27H32ClNO2S MolecularWeight: 470.06648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC(CN(C)C)C(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)C.Cl

Isomeric SMILES

CC1=C(C=C(C=C1)SCC(CN(C)C)C(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)C.Cl

InChI

InChI=1S/C27H31NO2S.ClH/c1-20-10-15-26(16-21(20)2)31-19-24(17-28(3)4)27(29)23-11-13-25(14-12-23)30-18-22-8-6-5-7-9-22;/h5-16,24H,17-19H2,1-4H3;1H