3-(2-bromanylhexadecanoyloxy)-4-(trimethylazaniumyl)butanoate

Systemtic Name: 3-(2-bromanylhexadecanoyloxy)-4-(trimethylazaniumyl)butanoate Openeye Name: 3-(2-bromohexadecanoyloxy)-4-(trimethylammonio)butanoate CAS Name: 3-(2-bromo-1-oxohexadecoxy)-4-(trimethylammonio)butanoate IUPAC Name: 3-(2-bromohexadecanoyloxy)-4-(trimethylazaniumyl)butanoate Traditional Name: 3-(2-bromohexadecanoyloxy)-4-(trimethylammonio)butyrate Formula: C23H44BrNO4 MolecularWeight: 478.50376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C(=O)OC(CC(=O)[O-])C[N+](C)(C)C)Br

Isomeric SMILES

CCCCCCCCCCCCCCC(C(=O)OC(CC(=O)[O-])C[N+](C)(C)C)Br

InChI

InChI=1S/C23H44BrNO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)23(28)29-20(18-22(26)27)19-25(2,3)4/h20-21H,5-19H2,1-4H3