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

Systemtic Name: [(2R)-2-heptanoyloxy-4-oxidanylidene-4-tridecoxy-butyl]-trimethyl-azanium chloride Openeye Name: [(2R)-2-heptanoyloxy-4-oxo-4-tridecoxy-butyl]-trimethyl-ammonium chloride CAS Name: trimethyl-[(2R)-4-oxo-2-(1-oxoheptoxy)-4-tridecoxybutyl]ammonium chloride IUPAC Name: [(2R)-2-heptanoyloxy-4-oxo-4-tridecoxybutyl]-trimethylazanium chloride Traditional Name: [(2R)-2-enanthyloxy-4-keto-4-tridecoxy-butyl]-trimethyl-ammonium chloride Formula: C27H54ClNO4 MolecularWeight: 492.17496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H54NO4.ClH/c1-6-8-10-12-13-14-15-16-17-18-20-22-31-27(30)23-25(24-28(3,4)5)32-26(29)21-19-11-9-7-2;/h25H,6-24H2,1-5H3;1H/q+1;/p-1/t25-;/m1./s1