methyl 4-ethanoyl-1-oxidanidyl-5,6,7,8-tetrahydroquinolin-1-ium-2-carboxylate

Systemtic Name: methyl 4-ethanoyl-1-oxidanidyl-5,6,7,8-tetrahydroquinolin-1-ium-2-carboxylate Openeye Name: methyl 4-acetyl-1-oxido-5,6,7,8-tetrahydroquinolin-1-ium-2-carboxylate CAS Name: 4-acetyl-1-oxido-5,6,7,8-tetrahydroquinolin-1-ium-2-carboxylic acid methyl ester IUPAC Name: methyl 4-acetyl-1-oxido-5,6,7,8-tetrahydroquinolin-1-ium-2-carboxylate Traditional Name: 4-acetyl-1-oxido-5,6,7,8-tetrahydroquinolin-1-ium-2-carboxylic acid methyl ester Formula: C13H15NO4 MolecularWeight: 249.2625

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=[N+](C2=C1CCCC2)[O-])C(=O)OC

Isomeric SMILES

CC(=O)C1=CC(=[N+](C2=C1CCCC2)[O-])C(=O)OC

InChI

InChI=1S/C13H15NO4/c1-8(15)10-7-12(13(16)18-2)14(17)11-6-4-3-5-9(10)11/h7H,3-6H2,1-2H3