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

Systemtic Name: N'-(2-cyanophenyl)-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]ethanediamide Openeye Name: N'-(2-cyanophenyl)-N-[(2R)-2-(1-methylindolin-5-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]oxamide CAS Name: N'-(2-cyanophenyl)-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(1-pyrrolidin-1-iumyl)ethyl]oxamide IUPAC Name: N'-(2-cyanophenyl)-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ium-1-ylethyl]oxamide Traditional Name: N'-(2-cyanophenyl)-N-[(2R)-2-(1-methylindolin-5-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]oxamide Formula: C24H28N5O2+ MolecularWeight: 418.51142

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C1C=CC(=C2)C(CNC(=O)C(=O)NC3=CC=CC=C3C#N)[NH+]4CCCC4

Isomeric SMILES

CN1CCC2=C1C=CC(=C2)[C@H](CNC(=O)C(=O)NC3=CC=CC=C3C#N)[NH+]4CCCC4

InChI

InChI=1S/C24H27N5O2/c1-28-13-10-18-14-17(8-9-21(18)28)22(29-11-4-5-12-29)16-26-23(30)24(31)27-20-7-3-2-6-19(20)15-25/h2-3,6-9,14,22H,4-5,10-13,16H2,1H3,(H,26,30)(H,27,31)/p+1/t22-/m0/s1