5-[(4-methylpiperazin-4-ium-1-yl)methylideneamino]-1-phenyl-pyrazole-4-carbonitrile

Systemtic Name: 5-[(4-methylpiperazin-4-ium-1-yl)methylideneamino]-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-[(4-methylpiperazin-4-ium-1-yl)methyleneamino]-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-[(4-methyl-1-piperazin-4-iumyl)methylideneamino]-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-[(4-methylpiperazin-4-ium-1-yl)methylideneamino]-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-[(4-methylpiperazin-4-ium-1-yl)methyleneamino]-1-phenyl-pyrazole-4-carbonitrile Formula: C16H19N6+ MolecularWeight: 295.36226

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C=NC2=C(C=NN2C3=CC=CC=C3)C#N

Isomeric SMILES

C[NH+]1CCN(CC1)C=NC2=C(C=NN2C3=CC=CC=C3)C#N

InChI

InChI=1S/C16H18N6/c1-20-7-9-21(10-8-20)13-18-16-14(11-17)12-19-22(16)15-5-3-2-4-6-15/h2-6,12-13H,7-10H2,1H3/p+1