4-(3-oxidanylpyridin-1-ium-1-yl)butyl ethanoate bromide

Systemtic Name: 4-(3-oxidanylpyridin-1-ium-1-yl)butyl ethanoate bromide Openeye Name: 4-(3-hydroxypyridin-1-ium-1-yl)butyl acetate bromide CAS Name: acetic acid 4-(3-hydroxy-1-pyridin-1-iumyl)butyl ester bromide IUPAC Name: 4-(3-hydroxypyridin-1-ium-1-yl)butyl acetate bromide Traditional Name: acetic acid 4-(3-hydroxypyridin-1-ium-1-yl)butyl ester bromide Formula: C11H16BrNO3 MolecularWeight: 290.15364

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCC[N+]1=CC=CC(=C1)O.[Br-]

Isomeric SMILES

CC(=O)OCCCC[N+]1=CC=CC(=C1)O.[Br-]

InChI

InChI=1S/C11H15NO3.BrH/c1-10(13)15-8-3-2-6-12-7-4-5-11(14)9-12;/h4-5,7,9H,2-3,6,8H2,1H3;1H