ethyl 3-methyl-2,6-diphenyl-1H-pyrrolo[2,1-c][1,2,4]triazol-4-ium-7-carboxylate

Systemtic Name: ethyl 3-methyl-2,6-diphenyl-1H-pyrrolo[2,1-c][1,2,4]triazol-4-ium-7-carboxylate Openeye Name: ethyl 3-methyl-2,6-diphenyl-1H-pyrrolo[2,1-c][1,2,4]triazol-4-ium-7-carboxylate CAS Name: 3-methyl-2,6-diphenyl-1H-pyrrolo[2,1-c][1,2,4]triazol-4-ium-7-carboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-2,6-diphenyl-1H-pyrrolo[2,1-c][1,2,4]triazol-4-ium-7-carboxylate Traditional Name: 3-methyl-2,6-diphenyl-1H-pyrrolo[2,1-c][1,2,4]triazol-4-ium-7-carboxylic acid ethyl ester Formula: C21H20N3O2+ MolecularWeight: 346.4024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2NN(C(=[N+]2C=C1C3=CC=CC=C3)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C2NN(C(=[N+]2C=C1C3=CC=CC=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C21H19N3O2/c1-3-26-21(25)19-18(16-10-6-4-7-11-16)14-23-15(2)24(22-20(19)23)17-12-8-5-9-13-17/h4-14H,3H2,1-2H3/p+1