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

Systemtic Name: (3R)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-[2-(4-methylphenoxy)ethyl]piperazin-4-ium-2-one Openeye Name: (3R)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-[2-(4-methylphenoxy)ethyl]piperazin-4-ium-2-one CAS Name: (3R)-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-4-[2-(4-methylphenoxy)ethyl]-2-piperazin-4-iumone IUPAC Name: (3R)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[2-(4-methylphenoxy)ethyl]piperazin-4-ium-2-one Traditional Name: (3R)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-[2-(4-methylphenoxy)ethyl]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)OCC[NH+]2CCNC(=O)C2C3=C(N(N=C3C)C4=CC=CC=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O2/c1-17-9-11-21(12-10-17)30-16-15-27-14-13-25-24(29)23(27)22-18(2)26-28(19(22)3)20-7-5-4-6-8-20/h4-12,23H,13-16H2,1-3H3,(H,25,29)/p+1/t23-/m1/s1