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

Systemtic Name: trimethyl-[(2R)-4-oxidanylidene-4-(2-phenoxyethoxy)-2-undecanoyloxy-butyl]azanium chloride Openeye Name: trimethyl-[(2R)-4-oxo-4-(2-phenoxyethoxy)-2-undecanoyloxy-butyl]ammonium chloride CAS Name: trimethyl-[(2R)-4-oxo-2-(1-oxoundecoxy)-4-(2-phenoxyethoxy)butyl]ammonium chloride IUPAC Name: trimethyl-[(2R)-4-oxo-4-(2-phenoxyethoxy)-2-undecanoyloxybutyl]azanium chloride Traditional Name: [(2R)-4-keto-4-(2-phenoxyethoxy)-2-undecanoyloxy-butyl]-trimethyl-ammonium chloride Formula: C26H44ClNO5 MolecularWeight: 486.08426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H44NO5.ClH/c1-5-6-7-8-9-10-11-15-18-25(28)32-24(22-27(2,3)4)21-26(29)31-20-19-30-23-16-13-12-14-17-23;/h12-14,16-17,24H,5-11,15,18-22H2,1-4H3;1H/q+1;/p-1/t24-;/m1./s1