3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonylbenzenecarbonitrile

Systemtic Name: 3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonylbenzenecarbonitrile Openeye Name: 3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)benzonitrile CAS Name: 3-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]benzonitrile IUPAC Name: 3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)benzonitrile Traditional Name: 3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)benzonitrile Formula: C17H17N4O+ MolecularWeight: 293.34308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O/c18-13-14-4-3-5-15(12-14)17(22)21-10-8-20(9-11-21)16-6-1-2-7-19-16/h1-7,12H,8-11H2/p+1