trimethyl-[3-oxidanylidene-3-(3,4,5,6-tetrahydro-2H-1,7-benzodioxonin-9-yl)propyl]azanium iodide

Systemtic Name: trimethyl-[3-oxidanylidene-3-(3,4,5,6-tetrahydro-2H-1,7-benzodioxonin-9-yl)propyl]azanium iodide Openeye Name: trimethyl-[3-oxo-3-(3,4,5,6-tetrahydro-2H-1,7-benzodioxonin-9-yl)propyl]ammonium iodide CAS Name: trimethyl-[3-oxo-3-(3,4,5,6-tetrahydro-2H-1,7-benzodioxonin-9-yl)propyl]ammonium iodide IUPAC Name: trimethyl-[3-oxo-3-(3,4,5,6-tetrahydro-2H-1,7-benzodioxonin-9-yl)propyl]azanium iodide Traditional Name: [3-keto-3-(3,4,5,6-tetrahydro-2H-1,7-benzodioxonin-9-yl)propyl]-trimethyl-ammonium iodide Formula: C17H26INO3 MolecularWeight: 419.29771

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCC(=O)C1=CC2=C(C=C1)OCCCCCO2.[I-]

Isomeric SMILES

C[N+](C)(C)CCC(=O)C1=CC2=C(C=C1)OCCCCCO2.[I-]

InChI

InChI=1S/C17H26NO3.HI/c1-18(2,3)10-9-15(19)14-7-8-16-17(13-14)21-12-6-4-5-11-20-16;/h7-8,13H,4-6,9-12H2,1-3H3;1H/q+1;/p-1