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4-(2-acetyloxy-3-octadecoxy-propoxy)butyl-trimethyl-azanium bromide

4-(2-acetyloxy-3-octadecoxy-propoxy)butyl-trimethyl-azanium bromide

Systemtic Name:4-(2-acetyloxy-3-octadecoxy-propoxy)butyl-trimethyl-azanium bromide
Openeye Name:4-(2-acetoxy-3-octadecoxy-propoxy)butyl-trimethyl-ammonium bromide
CAS Name:4-(2-acetyloxy-3-octadecoxypropoxy)butyl-trimethylammonium bromide
IUPAC Name:4-(2-acetyloxy-3-octadecoxypropoxy)butyl-trimethylazanium bromide
Traditional Name:4-(2-acetoxy-3-stearyloxy-propoxy)butyl-trimethyl-ammonium bromide
Formula: C30H62BrNO4
MolecularWeight: 580.72158
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COCCCC[N+](C)(C)C)OC(=O)C.[Br-]


Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(COCCCC[N+](C)(C)C)OC(=O)C.[Br-]


InChI

InChI=1S/C30H62NO4.BrH/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25-33-27-30(35-29(2)32)28-34-26-23-21-24-31(3,4)5;/h30H,6-28H2,1-5H3;1H/q+1;/p-1


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