trimethyl-[3-oxidanylidene-3-[2-(pentan-3-ylazaniumyl)ethoxy]propyl]azanium diiodide

Systemtic Name: trimethyl-[3-oxidanylidene-3-[2-(pentan-3-ylazaniumyl)ethoxy]propyl]azanium diiodide Openeye Name: [3-[2-(1-ethylpropylammonio)ethoxy]-3-oxo-propyl]-trimethyl-ammonium diiodide CAS Name: trimethyl-[3-oxo-3-[2-(pentan-3-ylammonio)ethoxy]propyl]ammonium diiodide IUPAC Name: trimethyl-[3-oxo-3-[2-(pentan-3-ylazaniumyl)ethoxy]propyl]azanium diiodide Traditional Name: [3-[2-(1-ethylpropylammonio)ethoxy]-3-keto-propyl]-trimethyl-ammonium diiodide Formula: C13H30I2N2O2 MolecularWeight: 500.19844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)[NH2+]CCOC(=O)CC[N+](C)(C)C.[I-].[I-]

Isomeric SMILES

CCC(CC)[NH2+]CCOC(=O)CC[N+](C)(C)C.[I-].[I-]

InChI

InChI=1S/C13H29N2O2.2HI/c1-6-12(7-2)14-9-11-17-13(16)8-10-15(3,4)5;;/h12,14H,6-11H2,1-5H3;2*1H/q+1;;/p-1