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

Systemtic Name: trimethyl-[(2R)-2-(2-methylpropanoyloxy)-4-oxidanylidene-4-phenylmethoxy-butyl]azanium chloride Openeye Name: [(2R)-4-benzyloxy-2-(2-methylpropanoyloxy)-4-oxo-butyl]-trimethyl-ammonium chloride CAS Name: trimethyl-[(2R)-2-(2-methyl-1-oxopropoxy)-4-oxo-4-phenylmethoxybutyl]ammonium chloride IUPAC Name: trimethyl-[(2R)-2-(2-methylpropanoyloxy)-4-oxo-4-phenylmethoxybutyl]azanium chloride Traditional Name: [(2R)-4-benzoxy-2-isobutyryloxy-4-keto-butyl]-trimethyl-ammonium chloride Formula: C18H28ClNO4 MolecularWeight: 357.87222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28NO4.ClH/c1-14(2)18(21)23-16(12-19(3,4)5)11-17(20)22-13-15-9-7-6-8-10-15;/h6-10,14,16H,11-13H2,1-5H3;1H/q+1;/p-1/t16-;/m1./s1