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

Systemtic Name: methyl 2-[7-methyl-2-oxidanylidene-3-(piperidin-1-ium-1-ylmethyl)quinolin-1-yl]ethanoate Openeye Name: methyl 2-[7-methyl-2-oxo-3-(piperidin-1-ium-1-ylmethyl)-1-quinolyl]acetate CAS Name: 2-[7-methyl-2-oxo-3-(1-piperidin-1-iumylmethyl)-1-quinolinyl]acetic acid methyl ester IUPAC Name: methyl 2-[7-methyl-2-oxo-3-(piperidin-1-ium-1-ylmethyl)quinolin-1-yl]acetate Traditional Name: 2-[2-keto-7-methyl-3-(piperidin-1-ium-1-ylmethyl)-1-quinolyl]acetic acid methyl ester Formula: C19H25N2O3+ MolecularWeight: 329.4134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C(=O)N2CC(=O)OC)C[NH+]3CCCCC3

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=O)N2CC(=O)OC)C[NH+]3CCCCC3

InChI

InChI=1S/C19H24N2O3/c1-14-6-7-15-11-16(12-20-8-4-3-5-9-20)19(23)21(17(15)10-14)13-18(22)24-2/h6-7,10-11H,3-5,8-9,12-13H2,1-2H3/p+1