1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]-1-methyl-azepan-1-ium iodide

Systemtic Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]-1-methyl-azepan-1-ium iodide Openeye Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]-1-methyl-azepan-1-ium iodide CAS Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]-1-methylazepan-1-ium iodide IUPAC Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]-1-methylazepan-1-ium iodide Traditional Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]-1-methyl-azepan-1-ium iodide Formula: C17H26INO3 MolecularWeight: 419.29771

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCCC1)CCOC2=CC=CC3=C2OCCO3.[I-]

Isomeric SMILES

C[N+]1(CCCCCC1)CCOC2=CC=CC3=C2OCCO3.[I-]

InChI

InChI=1S/C17H26NO3.HI/c1-18(9-4-2-3-5-10-18)11-12-19-15-7-6-8-16-17(15)21-14-13-20-16;/h6-8H,2-5,9-14H2,1H3;1H/q+1;/p-1