3-cyano-N-[3-(piperidin-1-ium-1-ylmethyl)phenyl]benzamide

Systemtic Name: 3-cyano-N-[3-(piperidin-1-ium-1-ylmethyl)phenyl]benzamide Openeye Name: 3-cyano-N-[3-(piperidin-1-ium-1-ylmethyl)phenyl]benzamide CAS Name: 3-cyano-N-[3-(1-piperidin-1-iumylmethyl)phenyl]benzamide IUPAC Name: 3-cyano-N-[3-(piperidin-1-ium-1-ylmethyl)phenyl]benzamide Traditional Name: 3-cyano-N-[3-(piperidin-1-ium-1-ylmethyl)phenyl]benzamide Formula: C20H22N3O+ MolecularWeight: 320.40818

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC(=CC=C2)NC(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC(=CC=C2)NC(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H21N3O/c21-14-16-6-4-8-18(12-16)20(24)22-19-9-5-7-17(13-19)15-23-10-2-1-3-11-23/h4-9,12-13H,1-3,10-11,15H2,(H,22,24)/p+1