4-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]piperazin-4-ium-2-one

Systemtic Name: 4-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]piperazin-4-ium-2-one Openeye Name: 4-[[3-(m-tolyl)-1-(p-tolyl)pyrazol-4-yl]methyl]piperazin-4-ium-2-one CAS Name: 4-[[3-(3-methylphenyl)-1-(4-methylphenyl)-4-pyrazolyl]methyl]-2-piperazin-4-iumone IUPAC Name: 4-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]piperazin-4-ium-2-one Traditional Name: 4-[[3-(m-tolyl)-1-(p-tolyl)pyrazol-4-yl]methyl]piperazin-4-ium-2-one Formula: C22H25N4O+ MolecularWeight: 361.4601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)C)C[NH+]4CCNC(=O)C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)C)C[NH+]4CCNC(=O)C4

InChI

InChI=1S/C22H24N4O/c1-16-6-8-20(9-7-16)26-14-19(13-25-11-10-23-21(27)15-25)22(24-26)18-5-3-4-17(2)12-18/h3-9,12,14H,10-11,13,15H2,1-2H3,(H,23,27)/p+1