N'-(2-cyanophenyl)-N-[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]ethanediamide

Systemtic Name: N'-(2-cyanophenyl)-N-[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]ethanediamide Openeye Name: N'-(2-cyanophenyl)-N-[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]oxamide CAS Name: N'-(2-cyanophenyl)-N-[(2R)-2-(4-dimethylaminophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]oxamide IUPAC Name: N'-(2-cyanophenyl)-N-[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-ylethyl]oxamide Traditional Name: N'-(2-cyanophenyl)-N-[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]oxamide Formula: C23H28N5O2+ MolecularWeight: 406.50072

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(CNC(=O)C(=O)NC2=CC=CC=C2C#N)[NH+]3CCCC3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)[C@H](CNC(=O)C(=O)NC2=CC=CC=C2C#N)[NH+]3CCCC3

InChI

InChI=1S/C23H27N5O2/c1-27(2)19-11-9-17(10-12-19)21(28-13-5-6-14-28)16-25-22(29)23(30)26-20-8-4-3-7-18(20)15-24/h3-4,7-12,21H,5-6,13-14,16H2,1-2H3,(H,25,29)(H,26,30)/p+1/t21-/m0/s1