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

Systemtic Name: N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-N'-(3-methylsulfanylphenyl)ethanediamide Openeye Name: N-[(2R)-2-(1-methylindolin-5-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-N'-(3-methylsulfanylphenyl)oxamide CAS Name: N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(1-pyrrolidin-1-iumyl)ethyl]-N'-[3-(methylthio)phenyl]oxamide IUPAC Name: N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ium-1-ylethyl]-N'-(3-methylsulfanylphenyl)oxamide Traditional Name: N-[(2R)-2-(1-methylindolin-5-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-N'-[3-(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=C3)SC)[NH+]4CCCC4

Isomeric SMILES

CN1CCC2=C1C=CC(=C2)[C@H](CNC(=O)C(=O)NC3=CC(=CC=C3)SC)[NH+]4CCCC4

InChI

InChI=1S/C24H30N4O2S/c1-27-13-10-18-14-17(8-9-21(18)27)22(28-11-3-4-12-28)16-25-23(29)24(30)26-19-6-5-7-20(15-19)31-2/h5-9,14-15,22H,3-4,10-13,16H2,1-2H3,(H,25,29)(H,26,30)/p+1/t22-/m0/s1