2,3-bis[(Z)-octadec-9-enoxy]propyl-dimethyl-[6-(trimethylazaniumyl)hexyl]azanium dibromide

Systemtic Name: 2,3-bis[(Z)-octadec-9-enoxy]propyl-dimethyl-[6-(trimethylazaniumyl)hexyl]azanium dibromide Openeye Name: 2,3-bis[(Z)-octadec-9-enoxy]propyl-dimethyl-[6-(trimethylammonio)hexyl]ammonium dibromide CAS Name: 2,3-bis[(Z)-octadec-9-enoxy]propyl-dimethyl-[6-(trimethylammonio)hexyl]ammonium dibromide IUPAC Name: 2,3-bis[(Z)-octadec-9-enoxy]propyl-dimethyl-[6-(trimethylazaniumyl)hexyl]azanium dibromide Traditional Name: 2,3-bis[(Z)-octadec-9-enoxy]propyl-dimethyl-[6-(trimethylammonio)hexyl]ammonium dibromide Formula: C50H102Br2N2O2 MolecularWeight: 923.16508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCOCC(C[N+](C)(C)CCCCCC[N+](C)(C)C)OCCCCCCCCC=CCCCCCCCC.[Br-].[Br-]

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCCOCC(C[N+](C)(C)CCCCCC[N+](C)(C)C)OCCCCCCCC/C=C\CCCCCCCC.[Br-].[Br-]

InChI

InChI=1S/C50H102N2O2.2BrH/c1-8-10-12-14-16-18-20-22-24-26-28-30-32-34-38-42-46-53-49-50(48-52(6,7)45-41-37-36-40-44-51(3,4)5)54-47-43-39-35-33-31-29-27-25-23-21-19-17-15-13-11-9-2;;/h22-25,50H,8-21,26-49H2,1-7H3;2*1H/q+2;;/p-2/b24-22-,25-23-;;