ethyl 4-methyl-2-[(1-oxidanidylpyridin-1-ium-4-yl)carbonyloxymethyl]quinoline-3-carboxylate

Systemtic Name: ethyl 4-methyl-2-[(1-oxidanidylpyridin-1-ium-4-yl)carbonyloxymethyl]quinoline-3-carboxylate Openeye Name: ethyl 4-methyl-2-[(1-oxidopyridin-1-ium-4-carbonyl)oxymethyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[(1-oxido-4-pyridin-1-iumyl)-oxomethoxy]methyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[(1-oxidopyridin-1-ium-4-carbonyl)oxymethyl]quinoline-3-carboxylate Traditional Name: 4-methyl-2-[(1-oxidopyridin-1-ium-4-carbonyl)oxymethyl]quinoline-3-carboxylic acid ethyl ester Formula: C20H18N2O5 MolecularWeight: 366.36732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1COC(=O)C3=CC=[N+](C=C3)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1COC(=O)C3=CC=[N+](C=C3)[O-])C

InChI

InChI=1S/C20H18N2O5/c1-3-26-20(24)18-13(2)15-6-4-5-7-16(15)21-17(18)12-27-19(23)14-8-10-22(25)11-9-14/h4-11H,3,12H2,1-2H3