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

Systemtic Name: methyl 2-[7-chloranyl-2-oxidanylidene-3-(piperidin-1-ium-1-ylmethyl)quinolin-1-yl]ethanoate Openeye Name: methyl 2-[7-chloro-2-oxo-3-(piperidin-1-ium-1-ylmethyl)-1-quinolyl]acetate CAS Name: 2-[7-chloro-2-oxo-3-(1-piperidin-1-iumylmethyl)-1-quinolinyl]acetic acid methyl ester IUPAC Name: methyl 2-[7-chloro-2-oxo-3-(piperidin-1-ium-1-ylmethyl)quinolin-1-yl]acetate Traditional Name: 2-[7-chloro-2-keto-3-(piperidin-1-ium-1-ylmethyl)-1-quinolyl]acetic acid methyl ester Formula: C18H22ClN2O3+ MolecularWeight: 349.83188

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=CC(=C2)Cl)C=C(C1=O)C[NH+]3CCCCC3

Isomeric SMILES

COC(=O)CN1C2=C(C=CC(=C2)Cl)C=C(C1=O)C[NH+]3CCCCC3

InChI

InChI=1S/C18H21ClN2O3/c1-24-17(22)12-21-16-10-15(19)6-5-13(16)9-14(18(21)23)11-20-7-3-2-4-8-20/h5-6,9-10H,2-4,7-8,11-12H2,1H3/p+1