1-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-1-ium-1-yl-ethanone

Systemtic Name: 1-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-1-ium-1-yl-ethanone Openeye Name: 1-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-1-ium-1-yl-ethanone CAS Name: 1-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-pyridin-1-iumyl)ethanone IUPAC Name: 1-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-1-ium-1-ylethanone Traditional Name: 1-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-1-ium-1-yl-ethanone Formula: C17H18NO3+ MolecularWeight: 284.32972

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1C(=O)C[N+]3=CC=CC=C3)OCCO2

Isomeric SMILES

CCC1=CC2=C(C=C1C(=O)C[N+]3=CC=CC=C3)OCCO2

InChI

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