ethyl 2-methyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-4-oxidanylidene-1H-quinoline-6-carboxylate

Systemtic Name: ethyl 2-methyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-4-oxidanylidene-1H-quinoline-6-carboxylate Openeye Name: ethyl 2-methyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-4-oxo-1H-quinoline-6-carboxylate CAS Name: 2-methyl-3-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-4-oxo-1H-quinoline-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-4-oxo-1H-quinoline-6-carboxylate Traditional Name: 4-keto-2-methyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinoline-6-carboxylic acid ethyl ester Formula: C20H27N2O3+ MolecularWeight: 343.43998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)NC(=C(C2=O)C[NH+]3CCCC(C3)C)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)NC(=C(C2=O)C[NH+]3CCC[C@@H](C3)C)C

InChI

InChI=1S/C20H26N2O3/c1-4-25-20(24)15-7-8-18-16(10-15)19(23)17(14(3)21-18)12-22-9-5-6-13(2)11-22/h7-8,10,13H,4-6,9,11-12H2,1-3H3,(H,21,23)/p+1/t13-/m0/s1