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

Systemtic Name: methyl 4-(4-methoxyphenyl)-1,5-diphenyl-1,2,4-triazol-4-ium-3-carboxylate Openeye Name: methyl 4-(4-methoxyphenyl)-1,5-diphenyl-1,2,4-triazol-4-ium-3-carboxylate CAS Name: 4-(4-methoxyphenyl)-1,5-diphenyl-1,2,4-triazol-4-ium-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-methoxyphenyl)-1,5-diphenyl-1,2,4-triazol-4-ium-3-carboxylate Traditional Name: 4-(4-methoxyphenyl)-1,5-diphenyl-1,2,4-triazol-4-ium-3-carboxylic acid methyl ester Formula: C23H20N3O3+ MolecularWeight: 386.4232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)[N+]2=C(N(N=C2C(=O)OC)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)[N+]2=C(N(N=C2C(=O)OC)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H20N3O3/c1-28-20-15-13-18(14-16-20)25-21(23(27)29-2)24-26(19-11-7-4-8-12-19)22(25)17-9-5-3-6-10-17/h3-16H,1-2H3/q+1