1,5-di(hexadecanoyloxy)pentan-3-yl-prop-2-enyl-azanium bromide

Systemtic Name: 1,5-di(hexadecanoyloxy)pentan-3-yl-prop-2-enyl-azanium bromide Openeye Name: allyl-[3-hexadecanoyloxy-1-(2-hexadecanoyloxyethyl)propyl]ammonium bromide CAS Name: 1,5-bis(1-oxohexadecoxy)pentan-3-yl-prop-2-enylammonium bromide IUPAC Name: 1,5-di(hexadecanoyloxy)pentan-3-yl-prop-2-enylazanium bromide Traditional Name: allyl-[3-hexadecanoyloxy-1-(2-hexadecanoyloxyethyl)propyl]ammonium bromide Formula: C40H78BrNO4 MolecularWeight: 716.95562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCCC(CCOC(=O)CCCCCCCCCCCCCCC)[NH2+]CC=C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCCC(CCOC(=O)CCCCCCCCCCCCCCC)[NH2+]CC=C.[Br-]

InChI

InChI=1S/C40H77NO4.BrH/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-39(42)44-36-33-38(41-35-6-3)34-37-45-40(43)32-30-28-26-24-22-20-18-16-14-12-10-8-5-2;/h6,38,41H,3-5,7-37H2,1-2H3;1H