[3-(acetyloxymethyl)-1-methyl-2-oxidanyl-pyridin-1-ium-4-yl]methyl ethanoate

Systemtic Name: [3-(acetyloxymethyl)-1-methyl-2-oxidanyl-pyridin-1-ium-4-yl]methyl ethanoate Openeye Name: [3-(acetoxymethyl)-2-hydroxy-1-methyl-pyridin-1-ium-4-yl]methyl acetate CAS Name: acetic acid [3-(acetyloxymethyl)-2-hydroxy-1-methyl-4-pyridin-1-iumyl]methyl ester IUPAC Name: [3-(acetyloxymethyl)-2-hydroxy-1-methylpyridin-1-ium-4-yl]methyl acetate Traditional Name: acetic acid [3-(acetoxymethyl)-2-hydroxy-1-methyl-pyridin-1-ium-4-yl]methyl ester Formula: C12H16NO5+ MolecularWeight: 254.25914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(C(=[N+](C=C1)C)O)COC(=O)C

Isomeric SMILES

CC(=O)OCC1=C(C(=[N+](C=C1)C)O)COC(=O)C

InChI

InChI=1S/C12H15NO5/c1-8(14)17-6-10-4-5-13(3)12(16)11(10)7-18-9(2)15/h4-5H,6-7H2,1-3H3/p+1