1-(2-methylphenyl)-4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(2-methylphenyl)-4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-4-ium Openeye Name: 1-(o-tolyl)-4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-4-ium CAS Name: 1-(2-methylphenyl)-4-[[4-(1-pyrazolyl)phenyl]methyl]piperazin-4-ium IUPAC Name: 1-(2-methylphenyl)-4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-4-ium Traditional Name: 1-(o-tolyl)-4-(4-pyrazol-1-ylbenzyl)piperazin-4-ium Formula: C21H25N4+ MolecularWeight: 333.45

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C21H24N4/c1-18-5-2-3-6-21(18)24-15-13-23(14-16-24)17-19-7-9-20(10-8-19)25-12-4-11-22-25/h2-12H,13-17H2,1H3/p+1