2-azanyl-1-[2-(4-methoxyphenyl)carbonyl-4-(1-methylpiperidin-4-yl)piperazin-1-yl]-4-methylsulfanyl-butan-1-one hydrochloride

Systemtic Name: 2-azanyl-1-[2-(4-methoxyphenyl)carbonyl-4-(1-methylpiperidin-4-yl)piperazin-1-yl]-4-methylsulfanyl-butan-1-one hydrochloride Openeye Name: 2-amino-1-[2-(4-methoxybenzoyl)-4-(1-methyl-4-piperidyl)piperazin-1-yl]-4-methylsulfanyl-butan-1-one hydrochloride CAS Name: 2-amino-1-[2-[(4-methoxyphenyl)-oxomethyl]-4-(1-methyl-4-piperidinyl)-1-piperazinyl]-4-(methylthio)-1-butanone hydrochloride IUPAC Name: 2-amino-1-[2-(4-methoxybenzoyl)-4-(1-methylpiperidin-4-yl)piperazin-1-yl]-4-methylsulfanylbutan-1-one hydrochloride Traditional Name: 2-amino-1-[4-(1-methyl-4-piperidyl)-2-p-anisoyl-piperazino]-4-(methylthio)butan-1-one hydrochloride Formula: C23H37ClN4O3S MolecularWeight: 485.08288

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N2CCN(C(C2)C(=O)C3=CC=C(C=C3)OC)C(=O)C(CCSC)N.Cl

Isomeric SMILES

CN1CCC(CC1)N2CCN(C(C2)C(=O)C3=CC=C(C=C3)OC)C(=O)C(CCSC)N.Cl

InChI

InChI=1S/C23H36N4O3S.ClH/c1-25-11-8-18(9-12-25)26-13-14-27(23(29)20(24)10-15-31-3)21(16-26)22(28)17-4-6-19(30-2)7-5-17;/h4-7,18,20-21H,8-16,24H2,1-3H3;1H