1-[4-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 1-[4-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 1-[4-[[3-(m-tolyl)-1-(p-tolyl)pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 1-[4-[[3-(3-methylphenyl)-1-(4-methylphenyl)-4-pyrazolyl]methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-[4-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 1-[4-[[3-(m-tolyl)-1-(p-tolyl)pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]ethanone Formula: C24H29N4O+ MolecularWeight: 389.51326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)C)C[NH+]4CCN(CC4)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)C)C[NH+]4CCN(CC4)C(=O)C

InChI

InChI=1S/C24H28N4O/c1-18-7-9-23(10-8-18)28-17-22(16-26-11-13-27(14-12-26)20(3)29)24(25-28)21-6-4-5-19(2)15-21/h4-10,15,17H,11-14,16H2,1-3H3/p+1