ethyl 3-azanyl-2-(4-methylquinolin-2-yl)-1H-pyrazol-2-ium-4-carboxylate

Systemtic Name: ethyl 3-azanyl-2-(4-methylquinolin-2-yl)-1H-pyrazol-2-ium-4-carboxylate Openeye Name: ethyl 3-amino-2-(4-methyl-2-quinolyl)-1H-pyrazol-2-ium-4-carboxylate CAS Name: 3-amino-2-(4-methyl-2-quinolinyl)-1H-pyrazol-2-ium-4-carboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-2-(4-methylquinolin-2-yl)-1H-pyrazol-2-ium-4-carboxylate Traditional Name: 3-amino-2-(4-methyl-2-quinolyl)-1H-pyrazol-2-ium-4-carboxylic acid ethyl ester Formula: C16H17N4O2+ MolecularWeight: 297.33178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN[N+](=C1N)C2=NC3=CC=CC=C3C(=C2)C

Isomeric SMILES

CCOC(=O)C1=CN[N+](=C1N)C2=NC3=CC=CC=C3C(=C2)C

InChI

InChI=1S/C16H16N4O2/c1-3-22-16(21)12-9-18-20(15(12)17)14-8-10(2)11-6-4-5-7-13(11)19-14/h4-9H,3H2,1-2H3,(H2,17,18,21)/p+1