[1-[16-[2-(hydroxymethyl)-1-methyl-pyrrolidin-1-ium-1-yl]hexadecyl]-1-methyl-pyrrolidin-1-ium-2-yl]methanol dibromide

Systemtic Name: [1-[16-[2-(hydroxymethyl)-1-methyl-pyrrolidin-1-ium-1-yl]hexadecyl]-1-methyl-pyrrolidin-1-ium-2-yl]methanol dibromide Openeye Name: [1-[16-[2-(hydroxymethyl)-1-methyl-pyrrolidin-1-ium-1-yl]hexadecyl]-1-methyl-pyrrolidin-1-ium-2-yl]methanol dibromide CAS Name: [1-[16-[2-(hydroxymethyl)-1-methyl-1-pyrrolidin-1-iumyl]hexadecyl]-1-methyl-2-pyrrolidin-1-iumyl]methanol dibromide IUPAC Name: [1-[16-[2-(hydroxymethyl)-1-methylpyrrolidin-1-ium-1-yl]hexadecyl]-1-methylpyrrolidin-1-ium-2-yl]methanol dibromide Traditional Name: [1-methyl-1-[16-(1-methyl-2-methylol-pyrrolidin-1-ium-1-yl)hexadecyl]pyrrolidin-1-ium-2-yl]methanol dibromide Formula: C28H58Br2N2O2 MolecularWeight: 614.58032

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1CO)CCCCCCCCCCCCCCCC[N+]2(CCCC2CO)C.[Br-].[Br-]

Isomeric SMILES

C[N+]1(CCCC1CO)CCCCCCCCCCCCCCCC[N+]2(CCCC2CO)C.[Br-].[Br-]

InChI

InChI=1S/C28H58N2O2.2BrH/c1-29(23-17-19-27(29)25-31)21-15-13-11-9-7-5-3-4-6-8-10-12-14-16-22-30(2)24-18-20-28(30)26-32;;/h27-28,31-32H,3-26H2,1-2H3;2*1H/q+2;;/p-2