(3-chloranyl-4-methyl-quinolin-2-yl)methyl 1-oxidanidylpyridin-1-ium-2-carboxylate

Systemtic Name: (3-chloranyl-4-methyl-quinolin-2-yl)methyl 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: (3-chloro-4-methyl-2-quinolyl)methyl 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid (3-chloro-4-methyl-2-quinolinyl)methyl ester IUPAC Name: (3-chloro-4-methylquinolin-2-yl)methyl 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid (3-chloro-4-methyl-2-quinolyl)methyl ester Formula: C17H13ClN2O3 MolecularWeight: 328.74972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC(=O)C3=CC=CC=[N+]3[O-])Cl

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC(=O)C3=CC=CC=[N+]3[O-])Cl

InChI

InChI=1S/C17H13ClN2O3/c1-11-12-6-2-3-7-13(12)19-14(16(11)18)10-23-17(21)15-8-4-5-9-20(15)22/h2-9H,10H2,1H3