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

Systemtic Name: trimethyl-[(2R)-2-(3-methylbutanoyloxy)-4-octoxy-4-oxidanylidene-butyl]azanium chloride Openeye Name: trimethyl-[(2R)-2-(3-methylbutanoyloxy)-4-octoxy-4-oxo-butyl]ammonium chloride CAS Name: trimethyl-[(2R)-2-(3-methyl-1-oxobutoxy)-4-octoxy-4-oxobutyl]ammonium chloride IUPAC Name: trimethyl-[(2R)-2-(3-methylbutanoyloxy)-4-octoxy-4-oxobutyl]azanium chloride Traditional Name: [(2R)-2-isovaleryloxy-4-keto-4-octoxy-butyl]-trimethyl-ammonium chloride Formula: C20H40ClNO4 MolecularWeight: 393.9889

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H40NO4.ClH/c1-7-8-9-10-11-12-13-24-19(22)15-18(16-21(4,5)6)25-20(23)14-17(2)3;/h17-18H,7-16H2,1-6H3;1H/q+1;/p-1/t18-;/m1./s1