2-(2-methylphenyl)-5-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-phenyl-1H-pyrazol-2-ium-3-amine

Systemtic Name: 2-(2-methylphenyl)-5-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-phenyl-1H-pyrazol-2-ium-3-amine Openeye Name: 5-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-(o-tolyl)-4-phenyl-1H-pyrazol-2-ium-3-amine CAS Name: 2-(2-methylphenyl)-5-[(4-methyl-1-piperazin-1-iumyl)methyl]-4-phenyl-1H-pyrazol-2-ium-3-amine IUPAC Name: 2-(2-methylphenyl)-5-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-phenyl-1H-pyrazol-2-ium-3-amine Traditional Name: [5-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-(o-tolyl)-4-phenyl-1H-pyrazol-2-ium-3-yl]amine Formula: C22H29N5+2 MolecularWeight: 363.49916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1[N+]2=C(C(=C(N2)C[NH+]3CCN(CC3)C)C4=CC=CC=C4)N

Isomeric SMILES

CC1=CC=CC=C1[N+]2=C(C(=C(N2)C[NH+]3CCN(CC3)C)C4=CC=CC=C4)N

InChI

InChI=1S/C22H27N5/c1-17-8-6-7-11-20(17)27-22(23)21(18-9-4-3-5-10-18)19(24-27)16-26-14-12-25(2)13-15-26/h3-11H,12-16H2,1-2H3,(H2,23,24)/p+2