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

Systemtic Name: ethyl 3-azanyl-2-(4-phenylquinolin-2-yl)-1H-pyrazol-2-ium-4-carboxylate Openeye Name: ethyl 3-amino-2-(4-phenyl-2-quinolyl)-1H-pyrazol-2-ium-4-carboxylate CAS Name: 3-amino-2-(4-phenyl-2-quinolinyl)-1H-pyrazol-2-ium-4-carboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-2-(4-phenylquinolin-2-yl)-1H-pyrazol-2-ium-4-carboxylate Traditional Name: 3-amino-2-(4-phenyl-2-quinolyl)-1H-pyrazol-2-ium-4-carboxylic acid ethyl ester Formula: C21H19N4O2+ MolecularWeight: 359.40116

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN[N+](=C1N)C2=NC3=CC=CC=C3C(=C2)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CN[N+](=C1N)C2=NC3=CC=CC=C3C(=C2)C4=CC=CC=C4

InChI

InChI=1S/C21H18N4O2/c1-2-27-21(26)17-13-23-25(20(17)22)19-12-16(14-8-4-3-5-9-14)15-10-6-7-11-18(15)24-19/h3-13H,2H2,1H3,(H2,22,23,26)/p+1