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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=[N+](C=C1)CC(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCCC1=CC=[N+](C=C1)CC(=O)C2=CC3=C(C=C2)OCCO3

InChI

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