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

Systemtic Name: ethyl 3-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-2-methyl-4-oxidanylidene-1H-quinoline-6-carboxylate Openeye Name: ethyl 3-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylate CAS Name: 3-[[(2R)-2-ethyl-1-piperidin-1-iumyl]methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylate Traditional Name: 3-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-4-keto-2-methyl-1H-quinoline-6-carboxylic acid ethyl ester Formula: C21H29N2O3+ MolecularWeight: 357.46656

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC2=C(NC3=C(C2=O)C=C(C=C3)C(=O)OCC)C

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O3/c1-4-16-8-6-7-11-23(16)13-18-14(3)22-19-10-9-15(21(25)26-5-2)12-17(19)20(18)24/h9-10,12,16H,4-8,11,13H2,1-3H3,(H,22,24)/p+1/t16-/m1/s1