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

Systemtic Name: trimethyl-[(2R)-2-(3-methylbutanoyloxy)-4-oxidanylidene-4-tridecoxy-butyl]azanium chloride Openeye Name: trimethyl-[(2R)-2-(3-methylbutanoyloxy)-4-oxo-4-tridecoxy-butyl]ammonium chloride CAS Name: trimethyl-[(2R)-2-(3-methyl-1-oxobutoxy)-4-oxo-4-tridecoxybutyl]ammonium chloride IUPAC Name: trimethyl-[(2R)-2-(3-methylbutanoyloxy)-4-oxo-4-tridecoxybutyl]azanium chloride Traditional Name: [(2R)-2-isovaleryloxy-4-keto-4-tridecoxy-butyl]-trimethyl-ammonium chloride Formula: C25H50ClNO4 MolecularWeight: 464.1218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H50NO4.ClH/c1-7-8-9-10-11-12-13-14-15-16-17-18-29-24(27)20-23(21-26(4,5)6)30-25(28)19-22(2)3;/h22-23H,7-21H2,1-6H3;1H/q+1;/p-1/t23-;/m1./s1