ethyl 3-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxidanylidene-1H-quinoline-2-carboxylate

Systemtic Name: ethyl 3-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxidanylidene-1H-quinoline-2-carboxylate Openeye Name: ethyl 3-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-1H-quinoline-2-carboxylate CAS Name: 3-[(4-methyl-1-piperidin-1-iumyl)methyl]-4-oxo-1H-quinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-1H-quinoline-2-carboxylate Traditional Name: 4-keto-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1H-quinoline-2-carboxylic acid ethyl ester Formula: C19H25N2O3+ MolecularWeight: 329.4134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)C2=CC=CC=C2N1)C[NH+]3CCC(CC3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=O)C2=CC=CC=C2N1)C[NH+]3CCC(CC3)C

InChI

InChI=1S/C19H24N2O3/c1-3-24-19(23)17-15(12-21-10-8-13(2)9-11-21)18(22)14-6-4-5-7-16(14)20-17/h4-7,13H,3,8-12H2,1-2H3,(H,20,22)/p+1