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

Systemtic Name: 5-[(4-methylpiperazin-4-ium-1-yl)methylideneamino]-1-(phenylmethyl)pyrazole-4-carbonitrile Openeye Name: 1-benzyl-5-[(4-methylpiperazin-4-ium-1-yl)methyleneamino]pyrazole-4-carbonitrile CAS Name: 5-[(4-methyl-1-piperazin-4-iumyl)methylideneamino]-1-(phenylmethyl)-4-pyrazolecarbonitrile IUPAC Name: 1-benzyl-5-[(4-methylpiperazin-4-ium-1-yl)methylideneamino]pyrazole-4-carbonitrile Traditional Name: 1-benzyl-5-[(4-methylpiperazin-4-ium-1-yl)methyleneamino]pyrazole-4-carbonitrile Formula: C17H21N6+ MolecularWeight: 309.38884

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C=NC2=C(C=NN2CC3=CC=CC=C3)C#N

Isomeric SMILES

C[NH+]1CCN(CC1)C=NC2=C(C=NN2CC3=CC=CC=C3)C#N

InChI

InChI=1S/C17H20N6/c1-21-7-9-22(10-8-21)14-19-17-16(11-18)12-20-23(17)13-15-5-3-2-4-6-15/h2-6,12,14H,7-10,13H2,1H3/p+1