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

Systemtic Name: 4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonylbenzenecarbonitrile Openeye Name: 4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)benzonitrile CAS Name: 4-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)benzonitrile Traditional Name: 4-(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=C(C=C3)C#N

Isomeric SMILES

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

InChI

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