ethyl 4-[(2-chlorophenyl)methyl]-1,5-diphenyl-1,2,4-triazol-4-ium-3-carboxylate

Systemtic Name: ethyl 4-[(2-chlorophenyl)methyl]-1,5-diphenyl-1,2,4-triazol-4-ium-3-carboxylate Openeye Name: ethyl 4-[(2-chlorophenyl)methyl]-1,5-diphenyl-1,2,4-triazol-4-ium-3-carboxylate CAS Name: 4-[(2-chlorophenyl)methyl]-1,5-diphenyl-1,2,4-triazol-4-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-chlorophenyl)methyl]-1,5-diphenyl-1,2,4-triazol-4-ium-3-carboxylate Traditional Name: 4-(2-chlorobenzyl)-1,5-diphenyl-1,2,4-triazol-4-ium-3-carboxylic acid ethyl ester Formula: C24H21ClN3O2+ MolecularWeight: 418.89544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=[N+]1CC2=CC=CC=C2Cl)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=NN(C(=[N+]1CC2=CC=CC=C2Cl)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H21ClN3O2/c1-2-30-24(29)22-26-28(20-14-7-4-8-15-20)23(18-11-5-3-6-12-18)27(22)17-19-13-9-10-16-21(19)25/h3-16H,2,17H2,1H3/q+1