2-(2-azanylethylsulfanylmethyl)-3-(dimethylamino)-1-(4-phenylmethoxyphenyl)propan-1-one chloride

Systemtic Name: 2-(2-azanylethylsulfanylmethyl)-3-(dimethylamino)-1-(4-phenylmethoxyphenyl)propan-1-one chloride Openeye Name: 2-(2-aminoethylsulfanylmethyl)-1-(4-benzyloxyphenyl)-3-(dimethylamino)propan-1-one chloride CAS Name: 2-[(2-aminoethylthio)methyl]-3-(dimethylamino)-1-(4-phenylmethoxyphenyl)-1-propanone chloride IUPAC Name: 2-(2-aminoethylsulfanylmethyl)-3-(dimethylamino)-1-(4-phenylmethoxyphenyl)propan-1-one chloride Traditional Name: 2-[(2-aminoethylthio)methyl]-1-(4-benzoxyphenyl)-3-(dimethylamino)propan-1-one chloride Formula: C21H28ClN2O2S- MolecularWeight: 407.97722

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(CSCCN)C(=O)C1=CC=C(C=C1)OCC2=CC=CC=C2.[Cl-]

Isomeric SMILES

CN(C)CC(CSCCN)C(=O)C1=CC=C(C=C1)OCC2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C21H28N2O2S.ClH/c1-23(2)14-19(16-26-13-12-22)21(24)18-8-10-20(11-9-18)25-15-17-6-4-3-5-7-17;/h3-11,19H,12-16,22H2,1-2H3;1H/p-1