1-[3-(1-ethylpiperidin-1-ium-1-yl)propanoyloxy]butan-2-yl-trimethyl-azanium diiodide

Systemtic Name: 1-[3-(1-ethylpiperidin-1-ium-1-yl)propanoyloxy]butan-2-yl-trimethyl-azanium diiodide Openeye Name: 1-[3-(1-ethylpiperidin-1-ium-1-yl)propanoyloxymethyl]propyl-trimethyl-ammonium diiodide CAS Name: 1-[3-(1-ethyl-1-piperidin-1-iumyl)-1-oxopropoxy]butan-2-yl-trimethylammonium diiodide IUPAC Name: 1-[3-(1-ethylpiperidin-1-ium-1-yl)propanoyloxy]butan-2-yl-trimethylazanium diiodide Traditional Name: 1-[3-(1-ethylpiperidin-1-ium-1-yl)propanoyloxymethyl]propyl-trimethyl-ammonium diiodide Formula: C17H36I2N2O2 MolecularWeight: 554.28888

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COC(=O)CC[N+]1(CCCCC1)CC)[N+](C)(C)C.[I-].[I-]

Isomeric SMILES

CCC(COC(=O)CC[N+]1(CCCCC1)CC)[N+](C)(C)C.[I-].[I-]

InChI

InChI=1S/C17H36N2O2.2HI/c1-6-16(18(3,4)5)15-21-17(20)11-14-19(7-2)12-9-8-10-13-19;;/h16H,6-15H2,1-5H3;2*1H/q+2;;/p-2