2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone

Systemtic Name: 2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Openeye Name: 2-[4-(o-tolyl)piperazin-1-ium-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone CAS Name: 2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone IUPAC Name: 2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Traditional Name: 2-[4-(o-tolyl)piperazin-1-ium-1-yl]-1-(3-phenyl-2-pyrazolin-1-yl)ethanone Formula: C22H27N4O+ MolecularWeight: 363.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)N3CCC(=N3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)N3CCC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C22H26N4O/c1-18-7-5-6-10-21(18)25-15-13-24(14-16-25)17-22(27)26-12-11-20(23-26)19-8-3-2-4-9-19/h2-10H,11-17H2,1H3/p+1