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

Systemtic Name: N'-(2-cyanophenyl)-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ium-1-yl-ethyl]ethanediamide Openeye Name: N'-(2-cyanophenyl)-N-[(2R)-2-(1-methylindolin-5-yl)-2-piperidin-1-ium-1-yl-ethyl]oxamide CAS Name: N'-(2-cyanophenyl)-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(1-piperidin-1-iumyl)ethyl]oxamide IUPAC Name: N'-(2-cyanophenyl)-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ium-1-ylethyl]oxamide Traditional Name: N'-(2-cyanophenyl)-N-[(2R)-2-(1-methylindolin-5-yl)-2-piperidin-1-ium-1-yl-ethyl]oxamide Formula: C25H30N5O2+ MolecularWeight: 432.538

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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+]4CCCCC4

Isomeric SMILES

CN1CCC2=C1C=CC(=C2)[C@H](CNC(=O)C(=O)NC3=CC=CC=C3C#N)[NH+]4CCCCC4

InChI

InChI=1S/C25H29N5O2/c1-29-14-11-19-15-18(9-10-22(19)29)23(30-12-5-2-6-13-30)17-27-24(31)25(32)28-21-8-4-3-7-20(21)16-26/h3-4,7-10,15,23H,2,5-6,11-14,17H2,1H3,(H,27,31)(H,28,32)/p+1/t23-/m0/s1