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

Systemtic Name: ethyl 2-methyl-3-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-4-oxidanylidene-1H-quinoline-6-carboxylate Openeye Name: ethyl 2-methyl-3-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-4-oxo-1H-quinoline-6-carboxylate CAS Name: 2-methyl-3-[[(2R)-2-methyl-1-piperidin-1-iumyl]methyl]-4-oxo-1H-quinoline-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-3-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-4-oxo-1H-quinoline-6-carboxylate Traditional Name: 4-keto-2-methyl-3-[[(2R)-2-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+]3CCCCC3C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O3/c1-4-25-20(24)15-8-9-18-16(11-15)19(23)17(14(3)21-18)12-22-10-6-5-7-13(22)2/h8-9,11,13H,4-7,10,12H2,1-3H3,(H,21,23)/p+1/t13-/m1/s1