(6S)-6-methyl-1-(2-methylphenyl)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazin-4-ium-2-one

Systemtic Name: (6S)-6-methyl-1-(2-methylphenyl)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazin-4-ium-2-one Openeye Name: (6S)-6-methyl-1-(o-tolyl)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazin-4-ium-2-one CAS Name: (6S)-6-methyl-1-(2-methylphenyl)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-piperazin-4-iumone IUPAC Name: (6S)-6-methyl-1-(2-methylphenyl)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazin-4-ium-2-one Traditional Name: (6S)-6-methyl-1-(o-tolyl)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazin-4-ium-2-one Formula: C22H25N4O+ MolecularWeight: 361.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(=O)N1C2=CC=CC=C2C)CC3=C(NN=C3)C4=CC=CC=C4

Isomeric SMILES

C[C@H]1C[NH+](CC(=O)N1C2=CC=CC=C2C)CC3=C(NN=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H24N4O/c1-16-8-6-7-11-20(16)26-17(2)13-25(15-21(26)27)14-19-12-23-24-22(19)18-9-4-3-5-10-18/h3-12,17H,13-15H2,1-2H3,(H,23,24)/p+1/t17-/m0/s1