4-cyano-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 4-cyano-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 4-cyano-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 4-cyano-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 4-cyano-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 4-cyano-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C20H22N3O+ MolecularWeight: 320.40818

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H21N3O/c21-13-16-7-9-19(10-8-16)20(24)22-14-17-3-5-18(6-4-17)15-23-11-1-2-12-23/h3-10H,1-2,11-12,14-15H2,(H,22,24)/p+1