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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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