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

Systemtic Name: propyl 3-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-2-methyl-4-oxidanylidene-1H-quinoline-6-carboxylate Openeye Name: propyl 3-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylate CAS Name: 3-[[(2S)-2-ethyl-1-piperidin-1-iumyl]methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylic acid propyl ester IUPAC Name: propyl 3-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylate Traditional Name: 3-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-4-keto-2-methyl-1H-quinoline-6-carboxylic acid propyl ester Formula: C22H31N2O3+ MolecularWeight: 371.49314

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC2=C(C=C1)NC(=C(C2=O)C[NH+]3CCCCC3CC)C

Isomeric SMILES

CCCOC(=O)C1=CC2=C(C=C1)NC(=C(C2=O)C[NH+]3CCCC[C@@H]3CC)C

InChI

InChI=1S/C22H30N2O3/c1-4-12-27-22(26)16-9-10-20-18(13-16)21(25)19(15(3)23-20)14-24-11-7-6-8-17(24)5-2/h9-10,13,17H,4-8,11-12,14H2,1-3H3,(H,23,25)/p+1/t17-/m0/s1