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

Systemtic Name: 3-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrazine-2-carbonitrile Openeye Name: 3-(4-benzylpiperazin-4-ium-1-yl)pyrazine-2-carbonitrile CAS Name: 3-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-pyrazinecarbonitrile IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-yl)pyrazine-2-carbonitrile Traditional Name: 3-(4-benzylpiperazin-4-ium-1-yl)pyrazinonitrile Formula: C16H18N5+ MolecularWeight: 280.34762

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC=CN=C3C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC=CN=C3C#N

InChI

InChI=1S/C16H17N5/c17-12-15-16(19-7-6-18-15)21-10-8-20(9-11-21)13-14-4-2-1-3-5-14/h1-7H,8-11,13H2/p+1