(5R)-5-[4-(4-methylphenyl)sulfanylpiperidin-1-yl]carbonyl-1-(2-morpholin-4-ium-4-ylethyl)piperidin-2-one

Systemtic Name: (5R)-5-[4-(4-methylphenyl)sulfanylpiperidin-1-yl]carbonyl-1-(2-morpholin-4-ium-4-ylethyl)piperidin-2-one Openeye Name: (5R)-1-(2-morpholin-4-ium-4-ylethyl)-5-[4-(p-tolylsulfanyl)piperidine-1-carbonyl]piperidin-2-one CAS Name: (5R)-5-[[4-[(4-methylphenyl)thio]-1-piperidinyl]-oxomethyl]-1-[2-(4-morpholin-4-iumyl)ethyl]-2-piperidinone IUPAC Name: (5R)-5-[4-(4-methylphenyl)sulfanylpiperidine-1-carbonyl]-1-(2-morpholin-4-ium-4-ylethyl)piperidin-2-one Traditional Name: (5R)-1-(2-morpholin-4-ium-4-ylethyl)-5-[4-(p-tolylthio)piperidine-1-carbonyl]-2-piperidone Formula: C24H36N3O3S+ MolecularWeight: 446.62594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2CCN(CC2)C(=O)C3CCC(=O)N(C3)CC[NH+]4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)SC2CCN(CC2)C(=O)[C@@H]3CCC(=O)N(C3)CC[NH+]4CCOCC4

InChI

InChI=1S/C24H35N3O3S/c1-19-2-5-21(6-3-19)31-22-8-10-26(11-9-22)24(29)20-4-7-23(28)27(18-20)13-12-25-14-16-30-17-15-25/h2-3,5-6,20,22H,4,7-18H2,1H3/p+1/t20-/m1/s1