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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C=N2)C#N)N=CN3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C=N2)C#N)N=CN3CC[NH+](CC3)C

InChI

InChI=1S/C17H20N6/c1-14-3-5-16(6-4-14)23-17(15(11-18)12-20-23)19-13-22-9-7-21(2)8-10-22/h3-6,12-13H,7-10H2,1-2H3/p+1