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

Systemtic Name: 2-(2-azanylethylsulfanylmethyl)-3-(dimethylamino)-1-(4-phenylmethoxyphenyl)propan-1-one hydrochloride Openeye Name: 2-(2-aminoethylsulfanylmethyl)-1-(4-benzyloxyphenyl)-3-(dimethylamino)propan-1-one hydrochloride CAS Name: 2-[(2-aminoethylthio)methyl]-3-(dimethylamino)-1-(4-phenylmethoxyphenyl)-1-propanone hydrochloride IUPAC Name: 2-(2-aminoethylsulfanylmethyl)-3-(dimethylamino)-1-(4-phenylmethoxyphenyl)propan-1-one hydrochloride Traditional Name: 2-[(2-aminoethylthio)methyl]-1-(4-benzoxyphenyl)-3-(dimethylamino)propan-1-one hydrochloride Formula: C21H29ClN2O2S MolecularWeight: 408.98516

Click to see the large picture

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