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

Systemtic Name: (3R)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-[(2-methylphenyl)methyl]piperazin-4-ium-2-one Openeye Name: (3R)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-(o-tolylmethyl)piperazin-4-ium-2-one CAS Name: (3R)-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-4-[(2-methylphenyl)methyl]-2-piperazin-4-iumone IUPAC Name: (3R)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[(2-methylphenyl)methyl]piperazin-4-ium-2-one Traditional Name: (3R)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-(2-methylbenzyl)piperazin-4-ium-2-one Formula: C23H27N4O+ MolecularWeight: 375.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCNC(=O)C2C3=C(N(N=C3C)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCNC(=O)[C@H]2C3=C(N(N=C3C)C4=CC=CC=C4)C

InChI

InChI=1S/C23H26N4O/c1-16-9-7-8-10-19(16)15-26-14-13-24-23(28)22(26)21-17(2)25-27(18(21)3)20-11-5-4-6-12-20/h4-12,22H,13-15H2,1-3H3,(H,24,28)/p+1/t22-/m1/s1