trimethyl-[3-[4-[3-(trimethylazaniumyl)propoxycarbonyl]phenyl]carbonyloxypropyl]azanium diiodide

Systemtic Name: trimethyl-[3-[4-[3-(trimethylazaniumyl)propoxycarbonyl]phenyl]carbonyloxypropyl]azanium diiodide Openeye Name: trimethyl-[3-[4-[3-(trimethylammonio)propoxycarbonyl]benzoyl]oxypropyl]ammonium diiodide CAS Name: trimethyl-[3-[oxo-[4-[oxo-[3-(trimethylammonio)propoxy]methyl]phenyl]methoxy]propyl]ammonium diiodide IUPAC Name: trimethyl-[3-[4-[3-(trimethylazaniumyl)propoxycarbonyl]benzoyl]oxypropyl]azanium diiodide Traditional Name: trimethyl-[3-[4-[3-(trimethylammonio)propoxycarbonyl]benzoyl]oxypropyl]ammonium diiodide Formula: C20H34I2N2O4 MolecularWeight: 620.3039

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCCOC(=O)C1=CC=C(C=C1)C(=O)OCCC[N+](C)(C)C.[I-].[I-]

Isomeric SMILES

C[N+](C)(C)CCCOC(=O)C1=CC=C(C=C1)C(=O)OCCC[N+](C)(C)C.[I-].[I-]

InChI

InChI=1S/C20H34N2O4.2HI/c1-21(2,3)13-7-15-25-19(23)17-9-11-18(12-10-17)20(24)26-16-8-14-22(4,5)6;;/h9-12H,7-8,13-16H2,1-6H3;2*1H/q+2;;/p-2