(2-chloranyl-7,8-dimethyl-quinolin-3-yl)methyl 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: (2-chloranyl-7,8-dimethyl-quinolin-3-yl)methyl 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: (2-chloro-7,8-dimethyl-3-quinolyl)methyl 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid (2-chloro-7,8-dimethyl-3-quinolinyl)methyl ester IUPAC Name: (2-chloro-7,8-dimethylquinolin-3-yl)methyl 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid (2-chloro-7,8-dimethyl-3-quinolyl)methyl ester Formula: C18H15ClN2O3 MolecularWeight: 342.7763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=C(C=C2C=C1)COC(=O)C3=CC=[N+](C=C3)[O-])Cl)C

Isomeric SMILES

CC1=C(C2=NC(=C(C=C2C=C1)COC(=O)C3=CC=[N+](C=C3)[O-])Cl)C

InChI

InChI=1S/C18H15ClN2O3/c1-11-3-4-14-9-15(17(19)20-16(14)12(11)2)10-24-18(22)13-5-7-21(23)8-6-13/h3-9H,10H2,1-2H3