4-[[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[[4-(4-acetylphenyl)-1-piperazin-1-iumyl]methyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C24H29N4O2+ MolecularWeight: 405.51266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)C(=O)C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)C(=O)C

InChI

InChI=1S/C24H28N4O2/c1-18-23(24(30)28(25(18)3)22-7-5-4-6-8-22)17-26-13-15-27(16-14-26)21-11-9-20(10-12-21)19(2)29/h4-12H,13-17H2,1-3H3/p+1