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

Systemtic Name: (3R)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-2-one Openeye Name: (3R)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-2-one CAS Name: (3R)-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-4-[(2-methoxy-5-methylphenyl)methyl]-2-piperazin-4-iumone IUPAC Name: (3R)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[(2-methoxy-5-methylphenyl)methyl]piperazin-4-ium-2-one Traditional Name: (3R)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-(2-methoxy-5-methyl-benzyl)piperazin-4-ium-2-one Formula: C24H29N4O2+ MolecularWeight: 405.51266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C[NH+]2CCNC(=O)C2C3=C(N(N=C3C)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C[NH+]2CCNC(=O)[C@H]2C3=C(N(N=C3C)C4=CC=CC=C4)C

InChI

InChI=1S/C24H28N4O2/c1-16-10-11-21(30-4)19(14-16)15-27-13-12-25-24(29)23(27)22-17(2)26-28(18(22)3)20-8-6-5-7-9-20/h5-11,14,23H,12-13,15H2,1-4H3,(H,25,29)/p+1/t23-/m1/s1