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

Systemtic Name: 2-(2-methylphenyl)-4-phenyl-5-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-pyrazol-2-ium-3-amine Openeye Name: 2-(o-tolyl)-4-phenyl-5-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-pyrazol-2-ium-3-amine CAS Name: 2-(2-methylphenyl)-4-phenyl-5-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1H-pyrazol-2-ium-3-amine IUPAC Name: 2-(2-methylphenyl)-4-phenyl-5-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-pyrazol-2-ium-3-amine Traditional Name: [2-(o-tolyl)-4-phenyl-5-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-pyrazol-2-ium-3-yl]amine Formula: C27H31N5+2 MolecularWeight: 425.56854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1[N+]2=C(C(=C(N2)C[NH+]3CCN(CC3)C4=CC=CC=C4)C5=CC=CC=C5)N

Isomeric SMILES

CC1=CC=CC=C1[N+]2=C(C(=C(N2)C[NH+]3CCN(CC3)C4=CC=CC=C4)C5=CC=CC=C5)N

InChI

InChI=1S/C27H29N5/c1-21-10-8-9-15-25(21)32-27(28)26(22-11-4-2-5-12-22)24(29-32)20-30-16-18-31(19-17-30)23-13-6-3-7-14-23/h2-15H,16-20H2,1H3,(H2,28,29)/p+2