2-(4-methylpiperazin-4-ium-1-yl)-5-phenyl-pyridine-3-carbonitrile

Systemtic Name: 2-(4-methylpiperazin-4-ium-1-yl)-5-phenyl-pyridine-3-carbonitrile Openeye Name: 2-(4-methylpiperazin-4-ium-1-yl)-5-phenyl-pyridine-3-carbonitrile CAS Name: 2-(4-methyl-1-piperazin-4-iumyl)-5-phenyl-3-pyridinecarbonitrile IUPAC Name: 2-(4-methylpiperazin-4-ium-1-yl)-5-phenylpyridine-3-carbonitrile Traditional Name: 2-(4-methylpiperazin-4-ium-1-yl)-5-phenyl-nicotinonitrile Formula: C17H19N4+ MolecularWeight: 279.35956

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC=C(C=C2C#N)C3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=C(C=C2C#N)C3=CC=CC=C3

InChI

InChI=1S/C17H18N4/c1-20-7-9-21(10-8-20)17-15(12-18)11-16(13-19-17)14-5-3-2-4-6-14/h2-6,11,13H,7-10H2,1H3/p+1