1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethylpyridin-1-ium-1-yl)ethanone

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethylpyridin-1-ium-1-yl)ethanone Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethylpyridin-1-ium-1-yl)ethanone CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethyl-1-pyridin-1-iumyl)ethanone IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethylpyridin-1-ium-1-yl)ethanone Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethylpyridin-1-ium-1-yl)ethanone Formula: C17H18NO3+ MolecularWeight: 284.32972

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=[N+](C=C1)CC(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCC1=CC=[N+](C=C1)CC(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C17H18NO3/c1-2-13-5-7-18(8-6-13)12-15(19)14-3-4-16-17(11-14)21-10-9-20-16/h3-8,11H,2,9-10,12H2,1H3/q+1