[(2R)-2-dodecanoyloxy-4-oxidanylidene-4-(2-phenoxyethoxy)butyl]-trimethyl-azanium chloride

Systemtic Name: [(2R)-2-dodecanoyloxy-4-oxidanylidene-4-(2-phenoxyethoxy)butyl]-trimethyl-azanium chloride Openeye Name: [(2R)-2-dodecanoyloxy-4-oxo-4-(2-phenoxyethoxy)butyl]-trimethyl-ammonium chloride CAS Name: trimethyl-[(2R)-4-oxo-2-(1-oxododecoxy)-4-(2-phenoxyethoxy)butyl]ammonium chloride IUPAC Name: [(2R)-2-dodecanoyloxy-4-oxo-4-(2-phenoxyethoxy)butyl]-trimethylazanium chloride Traditional Name: [(2R)-4-keto-2-lauroyloxy-4-(2-phenoxyethoxy)butyl]-trimethyl-ammonium chloride Formula: C27H46ClNO5 MolecularWeight: 500.11084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OC(CC(=O)OCCOC1=CC=CC=C1)C[N+](C)(C)C.[Cl-]

Isomeric SMILES

CCCCCCCCCCCC(=O)O[C@H](CC(=O)OCCOC1=CC=CC=C1)C[N+](C)(C)C.[Cl-]

InChI

InChI=1S/C27H46NO5.ClH/c1-5-6-7-8-9-10-11-12-16-19-26(29)33-25(23-28(2,3)4)22-27(30)32-21-20-31-24-17-14-13-15-18-24;/h13-15,17-18,25H,5-12,16,19-23H2,1-4H3;1H/q+1;/p-1/t25-;/m1./s1