2-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyridine-4-carbonitrile Openeye Name: 2-(4-benzylpiperazin-4-ium-1-yl)pyridine-4-carbonitrile CAS Name: 2-[4-(phenylmethyl)-1-piperazin-4-iumyl]-4-pyridinecarbonitrile IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-yl)pyridine-4-carbonitrile Traditional Name: 2-(4-benzylpiperazin-4-ium-1-yl)isonicotinonitrile Formula: C17H19N4+ MolecularWeight: 279.35956

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC=CC(=C3)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC=CC(=C3)C#N

InChI

InChI=1S/C17H18N4/c18-13-16-6-7-19-17(12-16)21-10-8-20(9-11-21)14-15-4-2-1-3-5-15/h1-7,12H,8-11,14H2/p+1