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

Systemtic Name: 2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-1-[(3S)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 1-[(3S)-5-(2-naphthyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-[4-(o-tolyl)piperazin-1-ium-1-yl]ethanone CAS Name: 2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-1-[(3S)-5-(2-naphthalenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-1-[(3S)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 1-[(5S)-3-(2-naphthyl)-5-phenyl-2-pyrazolin-1-yl]-2-[4-(o-tolyl)piperazin-1-ium-1-yl]ethanone Formula: C32H33N4O+ MolecularWeight: 489.63062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)N3C(CC(=N3)C4=CC5=CC=CC=C5C=C4)C6=CC=CC=C6

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)N3[C@@H](CC(=N3)C4=CC5=CC=CC=C5C=C4)C6=CC=CC=C6

InChI

InChI=1S/C32H32N4O/c1-24-9-5-8-14-30(24)35-19-17-34(18-20-35)23-32(37)36-31(26-11-3-2-4-12-26)22-29(33-36)28-16-15-25-10-6-7-13-27(25)21-28/h2-16,21,31H,17-20,22-23H2,1H3/p+1/t31-/m0/s1