1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)ethanone

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)ethanone Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)ethanone CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-ethyl-2-methyl-1-pyridin-1-iumyl)ethanone IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)ethanone Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)ethanone Formula: C18H20NO3+ MolecularWeight: 298.3563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20NO3/c1-3-14-5-4-13(2)19(11-14)12-16(20)15-6-7-17-18(10-15)22-9-8-21-17/h4-7,10-11H,3,8-9,12H2,1-2H3/q+1