ethyl 2-[5-(4-methylphenyl)-2,3,4-triphenyl-3,4-dihydropyrazol-1-ium-1-yl]ethanoate

Systemtic Name: ethyl 2-[5-(4-methylphenyl)-2,3,4-triphenyl-3,4-dihydropyrazol-1-ium-1-yl]ethanoate Openeye Name: ethyl 2-[2,3,4-triphenyl-5-(p-tolyl)-3,4-dihydropyrazol-1-ium-1-yl]acetate CAS Name: 2-[5-(4-methylphenyl)-2,3,4-triphenyl-3,4-dihydropyrazol-1-ium-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-(4-methylphenyl)-2,3,4-triphenyl-3,4-dihydropyrazol-1-ium-1-yl]acetate Traditional Name: 2-[2,3,4-triphenyl-5-(p-tolyl)-2-pyrazolin-1-ium-1-yl]acetic acid ethyl ester Formula: C32H31N2O2+ MolecularWeight: 475.60074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=C(C(C(N1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)C

Isomeric SMILES

CCOC(=O)C[N+]1=C(C(C(N1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)C

InChI

InChI=1S/C32H31N2O2/c1-3-36-29(35)23-33-31(27-21-19-24(2)20-22-27)30(25-13-7-4-8-14-25)32(26-15-9-5-10-16-26)34(33)28-17-11-6-12-18-28/h4-22,30,32H,3,23H2,1-2H3/q+1