3-azanylpropyl-[1,4-di(tetradecoxy)butan-2-yl]-methyl-azanium bromide

Systemtic Name: 3-azanylpropyl-[1,4-di(tetradecoxy)butan-2-yl]-methyl-azanium bromide Openeye Name: 3-aminopropyl-methyl-[3-tetradecoxy-1-(tetradecoxymethyl)propyl]ammonium bromide CAS Name: 3-aminopropyl-[1,4-di(tetradecoxy)butan-2-yl]-methylammonium bromide IUPAC Name: 3-aminopropyl-[1,4-di(tetradecoxy)butan-2-yl]-methylazanium bromide Traditional Name: 3-aminopropyl-methyl-[3-myristyloxy-1-(myristyloxymethyl)propyl]ammonium bromide Formula: C36H77BrN2O2 MolecularWeight: 649.91278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOCCC(COCCCCCCCCCCCCCC)[NH+](C)CCCN.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOCCC(COCCCCCCCCCCCCCC)[NH+](C)CCCN.[Br-]

InChI

InChI=1S/C36H76N2O2.BrH/c1-4-6-8-10-12-14-16-18-20-22-24-26-32-39-34-29-36(38(3)31-28-30-37)35-40-33-27-25-23-21-19-17-15-13-11-9-7-5-2;/h36H,4-35,37H2,1-3H3;1H