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

Systemtic Name: trimethyl-[(2R)-2-(3-methylbutanoyloxy)-4-oxidanylidene-4-undecoxy-butyl]azanium chloride Openeye Name: trimethyl-[(2R)-2-(3-methylbutanoyloxy)-4-oxo-4-undecoxy-butyl]ammonium chloride CAS Name: trimethyl-[(2R)-2-(3-methyl-1-oxobutoxy)-4-oxo-4-undecoxybutyl]ammonium chloride IUPAC Name: trimethyl-[(2R)-2-(3-methylbutanoyloxy)-4-oxo-4-undecoxybutyl]azanium chloride Traditional Name: [(2R)-2-isovaleryloxy-4-keto-4-undecoxy-butyl]-trimethyl-ammonium chloride Formula: C23H46ClNO4 MolecularWeight: 436.06864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H46NO4.ClH/c1-7-8-9-10-11-12-13-14-15-16-27-22(25)18-21(19-24(4,5)6)28-23(26)17-20(2)3;/h20-21H,7-19H2,1-6H3;1H/q+1;/p-1/t21-;/m1./s1