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

Systemtic Name: [(2R)-4-(11-bromanylundecoxy)-2-(3-methylbutanoyloxy)-4-oxidanylidene-butyl]-trimethyl-azanium chloride Openeye Name: [(2R)-4-(11-bromoundecoxy)-2-(3-methylbutanoyloxy)-4-oxo-butyl]-trimethyl-ammonium chloride CAS Name: [(2R)-4-(11-bromoundecoxy)-2-(3-methyl-1-oxobutoxy)-4-oxobutyl]-trimethylammonium chloride IUPAC Name: [(2R)-4-(11-bromoundecoxy)-2-(3-methylbutanoyloxy)-4-oxobutyl]-trimethylazanium chloride Traditional Name: [(2R)-4-(11-bromoundecoxy)-2-isovaleryloxy-4-keto-butyl]-trimethyl-ammonium chloride Formula: C23H45BrClNO4 MolecularWeight: 514.9647

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H45BrNO4.ClH/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;1H/q+1;/p-1/t21-;/m1./s1