3-[14-(1,1-dimethylpiperidin-1-ium-3-yl)oxytetradecoxy]-1,1-dimethyl-piperidin-1-ium dibromide

Systemtic Name: 3-[14-(1,1-dimethylpiperidin-1-ium-3-yl)oxytetradecoxy]-1,1-dimethyl-piperidin-1-ium dibromide Openeye Name: 3-[14-(1,1-dimethylpiperidin-1-ium-3-yl)oxytetradecoxy]-1,1-dimethyl-piperidin-1-ium dibromide CAS Name: 3-[14-[(1,1-dimethyl-3-piperidin-1-iumyl)oxy]tetradecoxy]-1,1-dimethylpiperidin-1-ium dibromide IUPAC Name: 3-[14-(1,1-dimethylpiperidin-1-ium-3-yl)oxytetradecoxy]-1,1-dimethylpiperidin-1-ium dibromide Traditional Name: 3-[14-(1,1-dimethylpiperidin-1-ium-3-yl)oxytetradecoxy]-1,1-dimethyl-piperidin-1-ium dibromide Formula: C28H58Br2N2O2 MolecularWeight: 614.58032

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC(C1)OCCCCCCCCCCCCCCOC2CCC[N+](C2)(C)C)C.[Br-].[Br-]

Isomeric SMILES

C[N+]1(CCCC(C1)OCCCCCCCCCCCCCCOC2CCC[N+](C2)(C)C)C.[Br-].[Br-]

InChI

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