trimethyl-[1-[methyl-bis(2-oxidanyldodecyl)azaniumyl]-2-oxidanyl-propan-2-yl]azanium dibromide

Systemtic Name: trimethyl-[1-[methyl-bis(2-oxidanyldodecyl)azaniumyl]-2-oxidanyl-propan-2-yl]azanium dibromide Openeye Name: bis(2-hydroxydodecyl)-[2-hydroxy-2-(trimethylammonio)propyl]-methyl-ammonium dibromide CAS Name: bis(2-hydroxydodecyl)-[2-hydroxy-2-(trimethylammonio)propyl]-methylammonium dibromide IUPAC Name: bis(2-hydroxydodecyl)-[2-hydroxy-2-(trimethylazaniumyl)propyl]-methylazanium dibromide Traditional Name: bis(2-hydroxydodecyl)-[2-hydroxy-2-(trimethylammonio)propyl]-methyl-ammonium dibromide Formula: C31H68Br2N2O3 MolecularWeight: 676.69122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C[N+](C)(CC(CCCCCCCCCC)O)CC(C)([N+](C)(C)C)O)O.[Br-].[Br-]

Isomeric SMILES

CCCCCCCCCCC(C[N+](C)(CC(CCCCCCCCCC)O)CC(C)([N+](C)(C)C)O)O.[Br-].[Br-]

InChI

InChI=1S/C31H68N2O3.2BrH/c1-8-10-12-14-16-18-20-22-24-29(34)26-33(7,28-31(3,36)32(4,5)6)27-30(35)25-23-21-19-17-15-13-11-9-2;;/h29-30,34-36H,8-28H2,1-7H3;2*1H/q+2;;/p-2