ethyl 4-butyl-1,5-diphenyl-1,2,4-triazol-4-ium-3-carboxylate

Systemtic Name: ethyl 4-butyl-1,5-diphenyl-1,2,4-triazol-4-ium-3-carboxylate Openeye Name: ethyl 4-butyl-1,5-diphenyl-1,2,4-triazol-4-ium-3-carboxylate CAS Name: 4-butyl-1,5-diphenyl-1,2,4-triazol-4-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-butyl-1,5-diphenyl-1,2,4-triazol-4-ium-3-carboxylate Traditional Name: 4-butyl-1,5-diphenyl-1,2,4-triazol-4-ium-3-carboxylic acid ethyl ester Formula: C21H24N3O2+ MolecularWeight: 350.43416

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C(N(N=C1C(=O)OCC)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCC[N+]1=C(N(N=C1C(=O)OCC)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H24N3O2/c1-3-5-16-23-19(21(25)26-4-2)22-24(18-14-10-7-11-15-18)20(23)17-12-8-6-9-13-17/h6-15H,3-5,16H2,1-2H3/q+1