3-azanylpropyl-[2,3-bis[(E)-tetradec-9-enoxy]propyl]-dimethyl-azanium bromide

Systemtic Name: 3-azanylpropyl-[2,3-bis[(E)-tetradec-9-enoxy]propyl]-dimethyl-azanium bromide Openeye Name: 3-aminopropyl-[2,3-bis[(E)-tetradec-9-enoxy]propyl]-dimethyl-ammonium bromide CAS Name: 3-aminopropyl-[2,3-bis[(E)-tetradec-9-enoxy]propyl]-dimethylammonium bromide IUPAC Name: 3-aminopropyl-[2,3-bis[(E)-tetradec-9-enoxy]propyl]-dimethylazanium bromide Traditional Name: 3-aminopropyl-[2,3-bis[(E)-tetradec-9-enoxy]propyl]-dimethyl-ammonium bromide Formula: C36H73BrN2O2 MolecularWeight: 645.88102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H73N2O2.BrH/c1-5-7-9-11-13-15-17-19-21-23-25-27-32-39-35-36(34-38(3,4)31-29-30-37)40-33-28-26-24-22-20-18-16-14-12-10-8-6-2;/h11-14,36H,5-10,15-35,37H2,1-4H3;1H/q+1;/p-1/b13-11+,14-12+;