[2-(1,2-oxazol-5-yl)-1-(4-oxidanylbutyl)-2H-pyridin-1-ium-1-yl] ethanoate

Systemtic Name: [2-(1,2-oxazol-5-yl)-1-(4-oxidanylbutyl)-2H-pyridin-1-ium-1-yl] ethanoate Openeye Name: [1-(4-hydroxybutyl)-2-isoxazol-5-yl-2H-pyridin-1-ium-1-yl] acetate CAS Name: acetic acid [1-(4-hydroxybutyl)-2-(5-isoxazolyl)-2H-pyridin-1-ium-1-yl] ester IUPAC Name: [1-(4-hydroxybutyl)-2-(1,2-oxazol-5-yl)-2H-pyridin-1-ium-1-yl] acetate Traditional Name: acetic acid [1-(4-hydroxybutyl)-2-isoxazol-5-yl-2H-pyridin-1-ium-1-yl] ester Formula: C14H19N2O4+ MolecularWeight: 279.31166

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O[N+]1(C=CC=CC1C2=CC=NO2)CCCCO

Isomeric SMILES

CC(=O)O[N+]1(C=CC=CC1C2=CC=NO2)CCCCO

InChI

InChI=1S/C14H19N2O4/c1-12(18)20-16(10-4-5-11-17)9-3-2-6-13(16)14-7-8-15-19-14/h2-3,6-9,13,17H,4-5,10-11H2,1H3/q+1