(3R)-1-(3-methylsulfanylphenyl)-5-oxidanylidene-N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]pyrrolidine-3-carboxamide

Systemtic Name: (3R)-1-(3-methylsulfanylphenyl)-5-oxidanylidene-N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]pyrrolidine-3-carboxamide Openeye Name: (3R)-N-[1-(2-anilino-2-oxo-ethyl)piperidin-1-ium-4-yl]-1-(3-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: (3R)-N-[1-(2-anilino-2-oxoethyl)-4-piperidin-1-iumyl]-1-[3-(methylthio)phenyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: (3R)-N-[1-(2-anilino-2-oxoethyl)piperidin-1-ium-4-yl]-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: (3R)-N-[1-(2-anilino-2-keto-ethyl)piperidin-1-ium-4-yl]-5-keto-1-[3-(methylthio)phenyl]pyrrolidine-3-carboxamide Formula: C25H31N4O3S+ MolecularWeight: 467.60364

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)N2CC(CC2=O)C(=O)NC3CC[NH+](CC3)CC(=O)NC4=CC=CC=C4

Isomeric SMILES

CSC1=CC=CC(=C1)N2C[C@@H](CC2=O)C(=O)NC3CC[NH+](CC3)CC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C25H30N4O3S/c1-33-22-9-5-8-21(15-22)29-16-18(14-24(29)31)25(32)27-20-10-12-28(13-11-20)17-23(30)26-19-6-3-2-4-7-19/h2-9,15,18,20H,10-14,16-17H2,1H3,(H,26,30)(H,27,32)/p+1/t18-/m1/s1