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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(NC3=C(C2=O)C=C(C=C3)C(=O)OC)C

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=C(NC3=C(C2=O)C=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C19H24N2O3/c1-12-5-4-8-21(10-12)11-16-13(2)20-17-7-6-14(19(23)24-3)9-15(17)18(16)22/h6-7,9,12H,4-5,8,10-11H2,1-3H3,(H,20,22)/p+1/t12-/m0/s1