1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methyl-azepan-1-ium iodide

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methyl-azepan-1-ium iodide Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methyl-azepan-1-ium iodide CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methylazepan-1-ium iodide IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methylazepan-1-ium iodide Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methyl-azepan-1-ium iodide Formula: C16H24INO2 MolecularWeight: 389.27173

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCCC1)CC2COC3=CC=CC=C3O2.[I-]

Isomeric SMILES

C[N+]1(CCCCCC1)CC2COC3=CC=CC=C3O2.[I-]

InChI

InChI=1S/C16H24NO2.HI/c1-17(10-6-2-3-7-11-17)12-14-13-18-15-8-4-5-9-16(15)19-14;/h4-5,8-9,14H,2-3,6-7,10-13H2,1H3;1H/q+1;/p-1