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

Systemtic Name: ethyl 4-[(2,4-dichlorophenyl)methyl]-1,5-diphenyl-1,2,4-triazol-4-ium-3-carboxylate Openeye Name: ethyl 4-[(2,4-dichlorophenyl)methyl]-1,5-diphenyl-1,2,4-triazol-4-ium-3-carboxylate CAS Name: 4-[(2,4-dichlorophenyl)methyl]-1,5-diphenyl-1,2,4-triazol-4-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2,4-dichlorophenyl)methyl]-1,5-diphenyl-1,2,4-triazol-4-ium-3-carboxylate Traditional Name: 4-(2,4-dichlorobenzyl)-1,5-diphenyl-1,2,4-triazol-4-ium-3-carboxylic acid ethyl ester Formula: C24H20Cl2N3O2+ MolecularWeight: 453.3405

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=[N+]1CC2=C(C=C(C=C2)Cl)Cl)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=NN(C(=[N+]1CC2=C(C=C(C=C2)Cl)Cl)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H20Cl2N3O2/c1-2-31-24(30)22-27-29(20-11-7-4-8-12-20)23(17-9-5-3-6-10-17)28(22)16-18-13-14-19(25)15-21(18)26/h3-15H,2,16H2,1H3/q+1