2-(4-methylpiperazin-4-ium-1-yl)-6-phenyl-pyrimidine-4-carbonitrile

Systemtic Name: 2-(4-methylpiperazin-4-ium-1-yl)-6-phenyl-pyrimidine-4-carbonitrile Openeye Name: 2-(4-methylpiperazin-4-ium-1-yl)-6-phenyl-pyrimidine-4-carbonitrile CAS Name: 2-(4-methyl-1-piperazin-4-iumyl)-6-phenyl-4-pyrimidinecarbonitrile IUPAC Name: 2-(4-methylpiperazin-4-ium-1-yl)-6-phenylpyrimidine-4-carbonitrile Traditional Name: 2-(4-methylpiperazin-4-ium-1-yl)-6-phenyl-pyrimidine-4-carbonitrile Formula: C16H18N5+ MolecularWeight: 280.34762

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC(=CC(=N2)C3=CC=CC=C3)C#N

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC(=CC(=N2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C16H17N5/c1-20-7-9-21(10-8-20)16-18-14(12-17)11-15(19-16)13-5-3-2-4-6-13/h2-6,11H,7-10H2,1H3/p+1