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

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methyl-azepan-1-ium Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methyl-azepan-1-ium CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methylazepan-1-ium IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methylazepan-1-ium Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methyl-azepan-1-ium Formula: C16H24NO2+ MolecularWeight: 262.36726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24NO2/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/q+1