bis(2-hexadecanoyloxyethyl)-methyl-prop-2-enyl-azanium bromide

Systemtic Name: bis(2-hexadecanoyloxyethyl)-methyl-prop-2-enyl-azanium bromide Openeye Name: allyl-bis(2-hexadecanoyloxyethyl)-methyl-ammonium bromide CAS Name: methyl-bis[2-(1-oxohexadecoxy)ethyl]-prop-2-enylammonium bromide IUPAC Name: bis(2-hexadecanoyloxyethyl)-methyl-prop-2-enylazanium bromide Traditional Name: allyl-bis(2-hexadecanoyloxyethyl)-methyl-ammonium bromide Formula: C40H78BrNO4 MolecularWeight: 716.95562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC[N+](C)(CCOC(=O)CCCCCCCCCCCCCCC)CC=C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC[N+](C)(CCOC(=O)CCCCCCCCCCCCCCC)CC=C.[Br-]

InChI

InChI=1S/C40H78NO4.BrH/c1-5-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)44-37-35-41(4,34-7-3)36-38-45-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-6-2;/h7H,3,5-6,8-38H2,1-2,4H3;1H/q+1;/p-1