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

Systemtic Name: methyl 3-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-2-methyl-4-oxidanylidene-1H-quinoline-6-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H27N2O3+ MolecularWeight: 343.43998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O3/c1-4-15-7-5-6-10-22(15)12-17-13(2)21-18-9-8-14(20(24)25-3)11-16(18)19(17)23/h8-9,11,15H,4-7,10,12H2,1-3H3,(H,21,23)/p+1/t15-/m1/s1