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

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)ethanone Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]ethanone CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-pentan-3-yl-1-pyridin-1-iumyl)ethanone IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)ethanone Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]ethanone Formula: C20H24NO3+ MolecularWeight: 326.40946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24NO3/c1-3-15(4-2)16-7-9-21(10-8-16)14-18(22)17-5-6-19-20(13-17)24-12-11-23-19/h5-10,13,15H,3-4,11-12,14H2,1-2H3/q+1