[4-(dimethylamino)-2-naphthalen-1-yl-butyl] 2-phenylsulfanylethanoate hydrochloride

Systemtic Name: [4-(dimethylamino)-2-naphthalen-1-yl-butyl] 2-phenylsulfanylethanoate hydrochloride Openeye Name: [4-(dimethylamino)-2-(1-naphthyl)butyl] 2-phenylsulfanylacetate hydrochloride CAS Name: 2-(phenylthio)acetic acid [4-(dimethylamino)-2-(1-naphthalenyl)butyl] ester hydrochloride IUPAC Name: [4-(dimethylamino)-2-naphthalen-1-ylbutyl] 2-phenylsulfanylacetate hydrochloride Traditional Name: 2-(phenylthio)acetic acid [4-(dimethylamino)-2-(1-naphthyl)butyl] ester hydrochloride Formula: C24H28ClNO2S MolecularWeight: 430.00262

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC(COC(=O)CSC1=CC=CC=C1)C2=CC=CC3=CC=CC=C32.Cl

Isomeric SMILES

CN(C)CCC(COC(=O)CSC1=CC=CC=C1)C2=CC=CC3=CC=CC=C32.Cl

InChI

InChI=1S/C24H27NO2S.ClH/c1-25(2)16-15-20(23-14-8-10-19-9-6-7-13-22(19)23)17-27-24(26)18-28-21-11-4-3-5-12-21;/h3-14,20H,15-18H2,1-2H3;1H