1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(phenylmethyl)pyridin-1-ium-1-yl]ethanone

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(phenylmethyl)pyridin-1-ium-1-yl]ethanone Openeye Name: 2-(4-benzylpyridin-1-ium-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(phenylmethyl)-1-pyridin-1-iumyl]ethanone IUPAC Name: 2-(4-benzylpyridin-1-ium-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone Traditional Name: 2-(4-benzylpyridin-1-ium-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone Formula: C22H20NO3+ MolecularWeight: 346.3991

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)C[N+]3=CC=C(C=C3)CC4=CC=CC=C4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)C[N+]3=CC=C(C=C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H20NO3/c24-20(19-6-7-21-22(15-19)26-13-12-25-21)16-23-10-8-18(9-11-23)14-17-4-2-1-3-5-17/h1-11,15H,12-14,16H2/q+1