1,5-dimethyl-4-[(4-methylpiperazin-4-ium-1-yl)diazenyl]-2-phenyl-pyrazol-3-one

Systemtic Name: 1,5-dimethyl-4-[(4-methylpiperazin-4-ium-1-yl)diazenyl]-2-phenyl-pyrazol-3-one Openeye Name: 1,5-dimethyl-4-(4-methylpiperazin-4-ium-1-yl)azo-2-phenyl-pyrazol-3-one CAS Name: 1,5-dimethyl-4-[(4-methyl-1-piperazin-4-iumyl)azo]-2-phenyl-3-pyrazolone IUPAC Name: 1,5-dimethyl-4-[(4-methylpiperazin-4-ium-1-yl)diazenyl]-2-phenylpyrazol-3-one Traditional Name: 1,5-dimethyl-4-(4-methylpiperazin-4-ium-1-yl)azo-2-phenyl-3-pyrazolin-3-one Formula: C16H23N6O+ MolecularWeight: 315.39342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=NN3CC[NH+](CC3)C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=NN3CC[NH+](CC3)C

InChI

InChI=1S/C16H22N6O/c1-13-15(17-18-21-11-9-19(2)10-12-21)16(23)22(20(13)3)14-7-5-4-6-8-14/h4-8H,9-12H2,1-3H3/p+1