methyl 2-[7-chloranyl-3-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-2-oxidanylidene-quinolin-1-yl]ethanoate

Systemtic Name: methyl 2-[7-chloranyl-3-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-2-oxidanylidene-quinolin-1-yl]ethanoate Openeye Name: methyl 2-[7-chloro-3-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-2-oxo-1-quinolyl]acetate CAS Name: 2-[7-chloro-3-[[(2S)-2-ethyl-1-piperidin-1-iumyl]methyl]-2-oxo-1-quinolinyl]acetic acid methyl ester IUPAC Name: methyl 2-[7-chloro-3-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-2-oxoquinolin-1-yl]acetate Traditional Name: 2-[7-chloro-3-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-2-keto-1-quinolyl]acetic acid methyl ester Formula: C20H26ClN2O3+ MolecularWeight: 377.88504

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC2=CC3=C(C=C(C=C3)Cl)N(C2=O)CC(=O)OC

Isomeric SMILES

CC[C@H]1CCCC[NH+]1CC2=CC3=C(C=C(C=C3)Cl)N(C2=O)CC(=O)OC

InChI

InChI=1S/C20H25ClN2O3/c1-3-17-6-4-5-9-22(17)12-15-10-14-7-8-16(21)11-18(14)23(20(15)25)13-19(24)26-2/h7-8,10-11,17H,3-6,9,12-13H2,1-2H3/p+1/t17-/m0/s1