(2-chloranylquinolin-3-yl)methyl 1-oxidanidylpyridin-1-ium-2-carboxylate

Systemtic Name: (2-chloranylquinolin-3-yl)methyl 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: (2-chloro-3-quinolyl)methyl 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid (2-chloro-3-quinolinyl)methyl ester IUPAC Name: (2-chloroquinolin-3-yl)methyl 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid (2-chloro-3-quinolyl)methyl ester Formula: C16H11ClN2O3 MolecularWeight: 314.72314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=N2)Cl)COC(=O)C3=CC=CC=[N+]3[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=N2)Cl)COC(=O)C3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C16H11ClN2O3/c17-15-12(9-11-5-1-2-6-13(11)18-15)10-22-16(20)14-7-3-4-8-19(14)21/h1-9H,10H2