[(2R)-2-(4-bromanylbutanoyloxy)-4-oxidanylidene-4-undecoxy-butyl]-trimethyl-azanium chloride

Systemtic Name: [(2R)-2-(4-bromanylbutanoyloxy)-4-oxidanylidene-4-undecoxy-butyl]-trimethyl-azanium chloride Openeye Name: [(2R)-2-(4-bromobutanoyloxy)-4-oxo-4-undecoxy-butyl]-trimethyl-ammonium chloride CAS Name: [(2R)-2-(4-bromo-1-oxobutoxy)-4-oxo-4-undecoxybutyl]-trimethylammonium chloride IUPAC Name: [(2R)-2-(4-bromobutanoyloxy)-4-oxo-4-undecoxybutyl]-trimethylazanium chloride Traditional Name: [(2R)-2-(4-bromobutanoyloxy)-4-keto-4-undecoxy-butyl]-trimethyl-ammonium chloride Formula: C22H43BrClNO4 MolecularWeight: 500.93812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCOC(=O)C[C@H](C[N+](C)(C)C)OC(=O)CCCBr.[Cl-]

InChI

InChI=1S/C22H43BrNO4.ClH/c1-5-6-7-8-9-10-11-12-13-17-27-22(26)18-20(19-24(2,3)4)28-21(25)15-14-16-23;/h20H,5-19H2,1-4H3;1H/q+1;/p-1/t20-;/m1./s1