2-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyridine-3-carbonitrile

Systemtic Name: 2-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyridine-3-carbonitrile Openeye Name: 2-(4-benzylpiperazin-4-ium-1-yl)pyridine-3-carbonitrile CAS Name: 2-[4-(phenylmethyl)-1-piperazin-4-iumyl]-3-pyridinecarbonitrile IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-yl)pyridine-3-carbonitrile Traditional Name: 2-(4-benzylpiperazin-4-ium-1-yl)nicotinonitrile Formula: C17H19N4+ MolecularWeight: 279.35956

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(C=CC=N3)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(C=CC=N3)C#N

InChI

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