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

Systemtic Name: 2,3-bis[(Z)-tetradec-9-enoxy]propyl-dimethyl-[3-(trimethylazaniumyl)propyl]azanium dibromide Openeye Name: 2,3-bis[(Z)-tetradec-9-enoxy]propyl-dimethyl-[3-(trimethylammonio)propyl]ammonium dibromide CAS Name: 2,3-bis[(Z)-tetradec-9-enoxy]propyl-dimethyl-[3-(trimethylammonio)propyl]ammonium dibromide IUPAC Name: 2,3-bis[(Z)-tetradec-9-enoxy]propyl-dimethyl-[3-(trimethylazaniumyl)propyl]azanium dibromide Traditional Name: 2,3-bis[(Z)-tetradec-9-enoxy]propyl-dimethyl-[3-(trimethylammonio)propyl]ammonium dibromide Formula: C39H80Br2N2O2 MolecularWeight: 768.8727

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC=CCCCCCCCCOCC(C[N+](C)(C)CCC[N+](C)(C)C)OCCCCCCCCC=CCCCC.[Br-].[Br-]

Isomeric SMILES

CCCC/C=C\CCCCCCCCOCC(C[N+](C)(C)CCC[N+](C)(C)C)OCCCCCCCC/C=C\CCCC.[Br-].[Br-]

InChI

InChI=1S/C39H80N2O2.2BrH/c1-8-10-12-14-16-18-20-22-24-26-28-30-35-42-38-39(37-41(6,7)34-32-33-40(3,4)5)43-36-31-29-27-25-23-21-19-17-15-13-11-9-2;;/h14-17,39H,8-13,18-38H2,1-7H3;2*1H/q+2;;/p-2/b16-14-,17-15-;;