1-(2-methylphenyl)-4-[(1-phenylpyrazol-4-yl)methyl]piperazin-4-ium

Systemtic Name: 1-(2-methylphenyl)-4-[(1-phenylpyrazol-4-yl)methyl]piperazin-4-ium Openeye Name: 1-(o-tolyl)-4-[(1-phenylpyrazol-4-yl)methyl]piperazin-4-ium CAS Name: 1-(2-methylphenyl)-4-[(1-phenyl-4-pyrazolyl)methyl]piperazin-4-ium IUPAC Name: 1-(2-methylphenyl)-4-[(1-phenylpyrazol-4-yl)methyl]piperazin-4-ium Traditional Name: 1-(o-tolyl)-4-[(1-phenylpyrazol-4-yl)methyl]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=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=CN(N=C3)C4=CC=CC=C4

InChI

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