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

Systemtic Name: trimethyl-[(2R)-2-(2-methylhexanoyloxy)-4-oxidanylidene-4-tridecoxy-butyl]azanium chloride Openeye Name: trimethyl-[(2R)-2-(2-methylhexanoyloxy)-4-oxo-4-tridecoxy-butyl]ammonium chloride CAS Name: trimethyl-[(2R)-2-(2-methyl-1-oxohexoxy)-4-oxo-4-tridecoxybutyl]ammonium chloride IUPAC Name: trimethyl-[(2R)-2-(2-methylhexanoyloxy)-4-oxo-4-tridecoxybutyl]azanium chloride Traditional Name: [(2R)-4-keto-2-(2-methylhexanoyloxy)-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)C(C)CCCC.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C27H54NO4.ClH/c1-7-9-11-12-13-14-15-16-17-18-19-21-31-26(29)22-25(23-28(4,5)6)32-27(30)24(3)20-10-8-2;/h24-25H,7-23H2,1-6H3;1H/q+1;/p-1/t24?,25-;/m1./s1