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

Systemtic Name: trimethyl-[(2R)-2-(3-methylbutanoyloxy)-4-oxidanylidene-4-phenylmethoxy-butyl]azanium chloride Openeye Name: [(2R)-4-benzyloxy-2-(3-methylbutanoyloxy)-4-oxo-butyl]-trimethyl-ammonium chloride CAS Name: trimethyl-[(2R)-2-(3-methyl-1-oxobutoxy)-4-oxo-4-phenylmethoxybutyl]ammonium chloride IUPAC Name: trimethyl-[(2R)-2-(3-methylbutanoyloxy)-4-oxo-4-phenylmethoxybutyl]azanium chloride Traditional Name: [(2R)-4-benzoxy-2-isovaleryloxy-4-keto-butyl]-trimethyl-ammonium chloride Formula: C19H30ClNO4 MolecularWeight: 371.8988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)OC(CC(=O)OCC1=CC=CC=C1)C[N+](C)(C)C.[Cl-]

Isomeric SMILES

CC(C)CC(=O)O[C@H](CC(=O)OCC1=CC=CC=C1)C[N+](C)(C)C.[Cl-]

InChI

InChI=1S/C19H30NO4.ClH/c1-15(2)11-19(22)24-17(13-20(3,4)5)12-18(21)23-14-16-9-7-6-8-10-16;/h6-10,15,17H,11-14H2,1-5H3;1H/q+1;/p-1/t17-;/m1./s1