2-azanyl-1-[4-(1-methylpiperidin-4-yl)-2-phenyl-piperidin-1-yl]-3-sulfanyl-propan-1-one hydrochloride

Systemtic Name: 2-azanyl-1-[4-(1-methylpiperidin-4-yl)-2-phenyl-piperidin-1-yl]-3-sulfanyl-propan-1-one hydrochloride Openeye Name: 2-amino-1-[4-(1-methyl-4-piperidyl)-2-phenyl-1-piperidyl]-3-sulfanyl-propan-1-one hydrochloride CAS Name: 2-amino-3-mercapto-1-[4-(1-methyl-4-piperidinyl)-2-phenyl-1-piperidinyl]-1-propanone hydrochloride IUPAC Name: 2-amino-1-[4-(1-methylpiperidin-4-yl)-2-phenylpiperidin-1-yl]-3-sulfanylpropan-1-one hydrochloride Traditional Name: 2-amino-3-mercapto-1-[4-(1-methyl-4-piperidyl)-2-phenyl-piperidino]propan-1-one hydrochloride Formula: C20H32ClN3OS MolecularWeight: 398.00558

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)C2CCN(C(C2)C3=CC=CC=C3)C(=O)C(CS)N.Cl

Isomeric SMILES

CN1CCC(CC1)C2CCN(C(C2)C3=CC=CC=C3)C(=O)C(CS)N.Cl

InChI

InChI=1S/C20H31N3OS.ClH/c1-22-10-7-15(8-11-22)17-9-12-23(20(24)18(21)14-25)19(13-17)16-5-3-2-4-6-16;/h2-6,15,17-19,25H,7-14,21H2,1H3;1H