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

Systemtic Name: 2-methyl-3-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-4-oxidanylidene-1H-quinoline-6-carboxylate Openeye Name: 2-methyl-3-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-4-oxo-1H-quinoline-6-carboxylate CAS Name: 2-methyl-3-[[(2S)-2-methyl-1-piperidin-1-iumyl]methyl]-4-oxo-1H-quinoline-6-carboxylate IUPAC Name: 2-methyl-3-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-4-oxo-1H-quinoline-6-carboxylate Traditional Name: 4-keto-2-methyl-3-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-1H-quinoline-6-carboxylate Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O3/c1-11-5-3-4-8-20(11)10-15-12(2)19-16-7-6-13(18(22)23)9-14(16)17(15)21/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,19,21)(H,22,23)/t11-/m0/s1