methyl 4-(4-methylphenyl)-1,5-diphenyl-1,2,4-triazol-4-ium-3-carboxylate

Systemtic Name: methyl 4-(4-methylphenyl)-1,5-diphenyl-1,2,4-triazol-4-ium-3-carboxylate Openeye Name: methyl 1,5-diphenyl-4-(p-tolyl)-1,2,4-triazol-4-ium-3-carboxylate CAS Name: 4-(4-methylphenyl)-1,5-diphenyl-1,2,4-triazol-4-ium-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-methylphenyl)-1,5-diphenyl-1,2,4-triazol-4-ium-3-carboxylate Traditional Name: 1,5-diphenyl-4-(p-tolyl)-1,2,4-triazol-4-ium-3-carboxylic acid methyl ester Formula: C23H20N3O2+ MolecularWeight: 370.4238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[N+]2=C(N(N=C2C(=O)OC)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)[N+]2=C(N(N=C2C(=O)OC)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H20N3O2/c1-17-13-15-19(16-14-17)25-21(23(27)28-2)24-26(20-11-7-4-8-12-20)22(25)18-9-5-3-6-10-18/h3-16H,1-2H3/q+1