2-[4-(phenylcarbonyl)piperazin-1-yl]pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-[4-(phenylcarbonyl)piperazin-1-yl]pyridin-1-ium-3-carbonitrile Openeye Name: 2-(4-benzoylpiperazin-1-yl)pyridin-1-ium-3-carbonitrile CAS Name: 2-(4-benzoyl-1-piperazinyl)-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-(4-benzoylpiperazin-1-yl)pyridin-1-ium-3-carbonitrile Traditional Name: 2-(4-benzoylpiperazino)pyridin-1-ium-3-carbonitrile Formula: C17H17N4O+ MolecularWeight: 293.34308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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