2-(2-cyanophenoxy)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-(2-cyanophenoxy)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(2-cyanophenoxy)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-(2-cyanophenoxy)-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(2-cyanophenoxy)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-(2-cyanophenoxy)-N-[4-(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=C(C=C2)CNC(=O)COC3=CC=CC=C3C#N

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)COC3=CC=CC=C3C#N

InChI

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