ethyl 7-ethanoyl-3,6-dimethyl-2-phenyl-1H-pyrrolo[2,1-c][1,2,4]triazol-4-ium-5-carboxylate

Systemtic Name: ethyl 7-ethanoyl-3,6-dimethyl-2-phenyl-1H-pyrrolo[2,1-c][1,2,4]triazol-4-ium-5-carboxylate Openeye Name: ethyl 7-acetyl-3,6-dimethyl-2-phenyl-1H-pyrrolo[2,1-c][1,2,4]triazol-4-ium-5-carboxylate CAS Name: 7-acetyl-3,6-dimethyl-2-phenyl-1H-pyrrolo[2,1-c][1,2,4]triazol-4-ium-5-carboxylic acid ethyl ester IUPAC Name: ethyl 7-acetyl-3,6-dimethyl-2-phenyl-1H-pyrrolo[2,1-c][1,2,4]triazol-4-ium-5-carboxylate Traditional Name: 7-acetyl-3,6-dimethyl-2-phenyl-1H-pyrrolo[2,1-c][1,2,4]triazol-4-ium-5-carboxylic acid ethyl ester Formula: C18H20N3O3+ MolecularWeight: 326.3697

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C2[N+]1=C(N(N2)C3=CC=CC=C3)C)C(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C2[N+]1=C(N(N2)C3=CC=CC=C3)C)C(=O)C)C

InChI

InChI=1S/C18H19N3O3/c1-5-24-18(23)16-11(2)15(12(3)22)17-19-21(13(4)20(16)17)14-9-7-6-8-10-14/h6-10H,5H2,1-4H3/p+1