3-[5-methoxy-2-[1-(2-oxidanylidene-3,4-dihydroquinolin-1-yl)piperidin-1-ium-1-yl]carbonyl-phenoxy]propyl ethanoate

Systemtic Name: 3-[5-methoxy-2-[1-(2-oxidanylidene-3,4-dihydroquinolin-1-yl)piperidin-1-ium-1-yl]carbonyl-phenoxy]propyl ethanoate Openeye Name: 3-[5-methoxy-2-[1-(2-oxo-3,4-dihydroquinolin-1-yl)piperidin-1-ium-1-carbonyl]phenoxy]propyl acetate CAS Name: acetic acid 3-[5-methoxy-2-[oxo-[1-(2-oxo-3,4-dihydroquinolin-1-yl)-1-piperidin-1-iumyl]methyl]phenoxy]propyl ester IUPAC Name: 3-[5-methoxy-2-[1-(2-oxo-3,4-dihydroquinolin-1-yl)piperidin-1-ium-1-carbonyl]phenoxy]propyl acetate Traditional Name: acetic acid 3-[2-[1-(2-keto-3,4-dihydroquinolin-1-yl)piperidin-1-ium-1-carbonyl]-5-methoxy-phenoxy]propyl ester Formula: C27H33N2O6+ MolecularWeight: 481.56072

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCOC1=C(C=CC(=C1)OC)C(=O)[N+]2(CCCCC2)N3C(=O)CCC4=CC=CC=C43

Isomeric SMILES

CC(=O)OCCCOC1=C(C=CC(=C1)OC)C(=O)[N+]2(CCCCC2)N3C(=O)CCC4=CC=CC=C43

InChI

InChI=1S/C27H33N2O6/c1-20(30)34-17-8-18-35-25-19-22(33-2)12-13-23(25)27(32)29(15-6-3-7-16-29)28-24-10-5-4-9-21(24)11-14-26(28)31/h4-5,9-10,12-13,19H,3,6-8,11,14-18H2,1-2H3/q+1