2-(2-cyanophenoxy)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-(2-cyanophenoxy)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(2-cyanophenoxy)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-(2-cyanophenoxy)-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(2-cyanophenoxy)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-(2-cyanophenoxy)-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]acetamide Formula: C21H24N3O2+ MolecularWeight: 350.43416

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)COC3=CC=CC=C3C#N

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)COC3=CC=CC=C3C#N

InChI

InChI=1S/C21H23N3O2/c22-13-17-7-3-4-10-20(17)26-16-21(25)23-14-18-8-1-2-9-19(18)15-24-11-5-6-12-24/h1-4,7-10H,5-6,11-12,14-16H2,(H,23,25)/p+1