N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-N'-(2-methylsulfanylphenyl)ethanediamide

Systemtic Name: N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-N'-(2-methylsulfanylphenyl)ethanediamide Openeye Name: N-[(2R)-2-(1-methylindolin-5-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-N'-(2-methylsulfanylphenyl)oxamide CAS Name: N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(1-pyrrolidin-1-iumyl)ethyl]-N'-[2-(methylthio)phenyl]oxamide IUPAC Name: N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ium-1-ylethyl]-N'-(2-methylsulfanylphenyl)oxamide Traditional Name: N-[(2R)-2-(1-methylindolin-5-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-N'-[2-(methylthio)phenyl]oxamide Formula: C24H31N4O2S+ MolecularWeight: 439.59354

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C1C=CC(=C2)C(CNC(=O)C(=O)NC3=CC=CC=C3SC)[NH+]4CCCC4

Isomeric SMILES

CN1CCC2=C1C=CC(=C2)[C@H](CNC(=O)C(=O)NC3=CC=CC=C3SC)[NH+]4CCCC4

InChI

InChI=1S/C24H30N4O2S/c1-27-14-11-18-15-17(9-10-20(18)27)21(28-12-5-6-13-28)16-25-23(29)24(30)26-19-7-3-4-8-22(19)31-2/h3-4,7-10,15,21H,5-6,11-14,16H2,1-2H3,(H,25,29)(H,26,30)/p+1/t21-/m0/s1