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

Systemtic Name: methyl 2-methyl-3-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-4-oxidanylidene-1H-quinoline-6-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C19H25N2O3+ MolecularWeight: 329.4134

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=C(NC3=C(C2=O)C=C(C=C3)C(=O)OC)C

Isomeric SMILES

C[C@@H]1CCCC[NH+]1CC2=C(NC3=C(C2=O)C=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C19H24N2O3/c1-12-6-4-5-9-21(12)11-16-13(2)20-17-8-7-14(19(23)24-3)10-15(17)18(16)22/h7-8,10,12H,4-6,9,11H2,1-3H3,(H,20,22)/p+1/t12-/m1/s1