6-(1-heptylpyridin-1-ium-4-yl)oxan-2-one

Systemtic Name: 6-(1-heptylpyridin-1-ium-4-yl)oxan-2-one Openeye Name: 6-(1-heptylpyridin-1-ium-4-yl)tetrahydropyran-2-one CAS Name: 6-(1-heptyl-4-pyridin-1-iumyl)-2-oxanone IUPAC Name: 6-(1-heptylpyridin-1-ium-4-yl)oxan-2-one Traditional Name: 6-(1-heptylpyridin-1-ium-4-yl)tetrahydropyran-2-one Formula: C17H26NO2+ MolecularWeight: 276.39384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+]1=CC=C(C=C1)C2CCCC(=O)O2

Isomeric SMILES

CCCCCCC[N+]1=CC=C(C=C1)C2CCCC(=O)O2

InChI

InChI=1S/C17H26NO2/c1-2-3-4-5-6-12-18-13-10-15(11-14-18)16-8-7-9-17(19)20-16/h10-11,13-14,16H,2-9,12H2,1H3/q+1