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

Systemtic Name: 4-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]methyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C24H31N4O+ MolecularWeight: 391.52914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)C

InChI

InChI=1S/C24H30N4O/c1-18-9-8-12-23(19(18)2)27-15-13-26(14-16-27)17-22-20(3)25(4)28(24(22)29)21-10-6-5-7-11-21/h5-12H,13-17H2,1-4H3/p+1