1-[2,2-bis(dodecoxymethyl)-3-(1-methylpyrrolidin-1-ium-1-yl)propyl]-1-methyl-pyrrolidin-1-ium diiodide

Systemtic Name: 1-[2,2-bis(dodecoxymethyl)-3-(1-methylpyrrolidin-1-ium-1-yl)propyl]-1-methyl-pyrrolidin-1-ium diiodide Openeye Name: 1-[2,2-bis(dodecoxymethyl)-3-(1-methylpyrrolidin-1-ium-1-yl)propyl]-1-methyl-pyrrolidin-1-ium diiodide CAS Name: 1-[2,2-bis(dodecoxymethyl)-3-(1-methyl-1-pyrrolidin-1-iumyl)propyl]-1-methylpyrrolidin-1-ium diiodide IUPAC Name: 1-[2,2-bis(dodecoxymethyl)-3-(1-methylpyrrolidin-1-ium-1-yl)propyl]-1-methylpyrrolidin-1-ium diiodide Traditional Name: 1-[2,2-bis(lauryloxymethyl)-3-(1-methylpyrrolidin-1-ium-1-yl)propyl]-1-methyl-pyrrolidin-1-ium diiodide Formula: C39H80I2N2O2 MolecularWeight: 862.87364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOCC(C[N+]1(CCCC1)C)(C[N+]2(CCCC2)C)COCCCCCCCCCCCC.[I-].[I-]

Isomeric SMILES

CCCCCCCCCCCCOCC(C[N+]1(CCCC1)C)(C[N+]2(CCCC2)C)COCCCCCCCCCCCC.[I-].[I-]

InChI

InChI=1S/C39H80N2O2.2HI/c1-5-7-9-11-13-15-17-19-21-27-33-42-37-39(35-40(3)29-23-24-30-40,36-41(4)31-25-26-32-41)38-43-34-28-22-20-18-16-14-12-10-8-6-2;;/h5-38H2,1-4H3;2*1H/q+2;;/p-2