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

Systemtic Name: 5-[(4-methylpiperazin-1-ium-1-yl)methyl]-2,4-diphenyl-1H-pyrazol-2-ium-3-amine Openeye Name: 5-[(4-methylpiperazin-1-ium-1-yl)methyl]-2,4-diphenyl-1H-pyrazol-2-ium-3-amine CAS Name: 5-[(4-methyl-1-piperazin-1-iumyl)methyl]-2,4-diphenyl-1H-pyrazol-2-ium-3-amine IUPAC Name: 5-[(4-methylpiperazin-1-ium-1-yl)methyl]-2,4-diphenyl-1H-pyrazol-2-ium-3-amine Traditional Name: [5-[(4-methylpiperazin-1-ium-1-yl)methyl]-2,4-diphenyl-1H-pyrazol-2-ium-3-yl]amine Formula: C21H27N5+2 MolecularWeight: 349.47258

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)CC2=C(C(=[N+](N2)C3=CC=CC=C3)N)C4=CC=CC=C4

Isomeric SMILES

CN1CC[NH+](CC1)CC2=C(C(=[N+](N2)C3=CC=CC=C3)N)C4=CC=CC=C4

InChI

InChI=1S/C21H25N5/c1-24-12-14-25(15-13-24)16-19-20(17-8-4-2-5-9-17)21(22)26(23-19)18-10-6-3-7-11-18/h2-11H,12-16H2,1H3,(H2,22,23)/p+2