[4-(2-dodecylhexadecanoyloxy)-2-oxidanyl-4-oxidanylidene-butyl]-trimethyl-azanium chloride

Systemtic Name: [4-(2-dodecylhexadecanoyloxy)-2-oxidanyl-4-oxidanylidene-butyl]-trimethyl-azanium chloride Openeye Name: [4-(2-dodecylhexadecanoyloxy)-2-hydroxy-4-oxo-butyl]-trimethyl-ammonium chloride CAS Name: [4-(2-dodecyl-1-oxohexadecoxy)-2-hydroxy-4-oxobutyl]-trimethylammonium chloride IUPAC Name: [4-(2-dodecylhexadecanoyloxy)-2-hydroxy-4-oxobutyl]-trimethylazanium chloride Traditional Name: [2-hydroxy-4-keto-4-(2-laurylhexadecanoyloxy)butyl]-trimethyl-ammonium chloride Formula: C35H70ClNO4 MolecularWeight: 604.3876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H70NO4.ClH/c1-6-8-10-12-14-16-18-19-21-23-25-27-29-32(28-26-24-22-20-17-15-13-11-9-7-2)35(39)40-34(38)30-33(37)31-36(3,4)5;/h32-33,37H,6-31H2,1-5H3;1H/q+1;/p-1