(3R)-1-phenyl-3-(4-thiomorpholin-4-ium-4-ylpiperidin-1-yl)carbonyl-pyrrolidin-2-one

Systemtic Name: (3R)-1-phenyl-3-(4-thiomorpholin-4-ium-4-ylpiperidin-1-yl)carbonyl-pyrrolidin-2-one Openeye Name: (3R)-1-phenyl-3-(4-thiomorpholin-4-ium-4-ylpiperidine-1-carbonyl)pyrrolidin-2-one CAS Name: (3R)-3-[oxo-[4-(4-thiomorpholin-4-iumyl)-1-piperidinyl]methyl]-1-phenyl-2-pyrrolidinone IUPAC Name: (3R)-1-phenyl-3-(4-thiomorpholin-4-ium-4-ylpiperidine-1-carbonyl)pyrrolidin-2-one Traditional Name: (3R)-1-phenyl-3-(4-thiomorpholin-4-ium-4-ylpiperidine-1-carbonyl)-2-pyrrolidone Formula: C20H28N3O2S+ MolecularWeight: 374.52022

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH+]2CCSCC2)C(=O)C3CCN(C3=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(C(=O)[C@H]1C(=O)N2CCC(CC2)[NH+]3CCSCC3)C4=CC=CC=C4

InChI

InChI=1S/C20H27N3O2S/c24-19(18-8-11-23(20(18)25)17-4-2-1-3-5-17)22-9-6-16(7-10-22)21-12-14-26-15-13-21/h1-5,16,18H,6-15H2/p+1/t18-/m1/s1