[(2R)-4-(11-bromanylundecoxy)-2-(3-methylbutanoyloxy)-4-oxidanylidene-butyl]-trimethyl-azanium

Systemtic Name: [(2R)-4-(11-bromanylundecoxy)-2-(3-methylbutanoyloxy)-4-oxidanylidene-butyl]-trimethyl-azanium Openeye Name: [(2R)-4-(11-bromoundecoxy)-2-(3-methylbutanoyloxy)-4-oxo-butyl]-trimethyl-ammonium CAS Name: [(2R)-4-(11-bromoundecoxy)-2-(3-methyl-1-oxobutoxy)-4-oxobutyl]-trimethylammonium IUPAC Name: [(2R)-4-(11-bromoundecoxy)-2-(3-methylbutanoyloxy)-4-oxobutyl]-trimethylazanium Traditional Name: [(2R)-4-(11-bromoundecoxy)-2-isovaleryloxy-4-keto-butyl]-trimethyl-ammonium Formula: C23H45BrNO4+ MolecularWeight: 479.5117

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)OC(CC(=O)OCCCCCCCCCCCBr)C[N+](C)(C)C

Isomeric SMILES

CC(C)CC(=O)O[C@H](CC(=O)OCCCCCCCCCCCBr)C[N+](C)(C)C

InChI

InChI=1S/C23H45BrNO4/c1-20(2)17-23(27)29-21(19-25(3,4)5)18-22(26)28-16-14-12-10-8-6-7-9-11-13-15-24/h20-21H,6-19H2,1-5H3/q+1/t21-/m1/s1