2-cyano-N-[4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonylphenyl]ethanamide

Systemtic Name: 2-cyano-N-[4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonylphenyl]ethanamide Openeye Name: 2-cyano-N-[4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenyl]acetamide CAS Name: 2-cyano-N-[4-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]phenyl]acetamide IUPAC Name: 2-cyano-N-[4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenyl]acetamide Traditional Name: 2-cyano-N-[4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenyl]acetamide Formula: C19H20N5O2+ MolecularWeight: 350.3944

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC=C(C=C3)NC(=O)CC#N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC=C(C=C3)NC(=O)CC#N

InChI

InChI=1S/C19H19N5O2/c20-9-8-18(25)22-16-6-4-15(5-7-16)19(26)24-13-11-23(12-14-24)17-3-1-2-10-21-17/h1-7,10H,8,11-14H2,(H,22,25)/p+1