[6-(1-methylpiperidin-1-ium-1-yl)-1-(2-oxidanyl-5-oxidanylidene-2H-furan-3-yl)hexyl] ethanoate

Systemtic Name: [6-(1-methylpiperidin-1-ium-1-yl)-1-(2-oxidanyl-5-oxidanylidene-2H-furan-3-yl)hexyl] ethanoate Openeye Name: [1-(2-hydroxy-5-oxo-2H-furan-3-yl)-6-(1-methylpiperidin-1-ium-1-yl)hexyl] acetate CAS Name: acetic acid [1-(2-hydroxy-5-oxo-2H-furan-3-yl)-6-(1-methyl-1-piperidin-1-iumyl)hexyl] ester IUPAC Name: [1-(2-hydroxy-5-oxo-2H-furan-3-yl)-6-(1-methylpiperidin-1-ium-1-yl)hexyl] acetate Traditional Name: acetic acid [1-(2-hydroxy-5-keto-2H-furan-3-yl)-6-(1-methylpiperidin-1-ium-1-yl)hexyl] ester Formula: C18H30NO5+ MolecularWeight: 340.4345

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CCCCC[N+]1(CCCCC1)C)C2=CC(=O)OC2O

Isomeric SMILES

CC(=O)OC(CCCCC[N+]1(CCCCC1)C)C2=CC(=O)OC2O

InChI

InChI=1S/C18H30NO5/c1-14(20)23-16(15-13-17(21)24-18(15)22)9-5-3-6-10-19(2)11-7-4-8-12-19/h13,16,18,22H,3-12H2,1-2H3/q+1