2-acetyloxyethyl-[1,3-dihexadecoxy-1,3-bis(oxidanylidene)propan-2-yl]-dimethyl-azanium bromide

Systemtic Name: 2-acetyloxyethyl-[1,3-dihexadecoxy-1,3-bis(oxidanylidene)propan-2-yl]-dimethyl-azanium bromide Openeye Name: 2-acetoxyethyl-(2-hexadecoxy-1-hexadecoxycarbonyl-2-oxo-ethyl)-dimethyl-ammonium bromide CAS Name: 2-acetyloxyethyl-(1,3-dihexadecoxy-1,3-dioxopropan-2-yl)-dimethylammonium bromide IUPAC Name: 2-acetyloxyethyl-(1,3-dihexadecoxy-1,3-dioxopropan-2-yl)-dimethylazanium bromide Traditional Name: 2-acetoxyethyl-(2-cetyloxy-1-cetyloxycarbonyl-2-keto-ethyl)-dimethyl-ammonium bromide Formula: C41H80BrNO6 MolecularWeight: 762.981

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C(C(=O)OCCCCCCCCCCCCCCCC)[N+](C)(C)CCOC(=O)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C(C(=O)OCCCCCCCCCCCCCCCC)[N+](C)(C)CCOC(=O)C.[Br-]

InChI

InChI=1S/C41H80NO6.BrH/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-35-47-40(44)39(42(4,5)34-37-46-38(3)43)41(45)48-36-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2;/h39H,6-37H2,1-5H3;1H/q+1;/p-1