methyl 1,4,5-triphenyl-1,2,4-triazol-4-ium-3-carboxylate

Systemtic Name: methyl 1,4,5-triphenyl-1,2,4-triazol-4-ium-3-carboxylate Openeye Name: methyl 1,4,5-triphenyl-1,2,4-triazol-4-ium-3-carboxylate CAS Name: 1,4,5-triphenyl-1,2,4-triazol-4-ium-3-carboxylic acid methyl ester IUPAC Name: methyl 1,4,5-triphenyl-1,2,4-triazol-4-ium-3-carboxylate Traditional Name: 1,4,5-triphenyl-1,2,4-triazol-4-ium-3-carboxylic acid methyl ester Formula: C22H18N3O2+ MolecularWeight: 356.39722

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C(=[N+]1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=NN(C(=[N+]1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H18N3O2/c1-27-22(26)20-23-25(19-15-9-4-10-16-19)21(17-11-5-2-6-12-17)24(20)18-13-7-3-8-14-18/h2-16H,1H3/q+1