[(1S,2R)-1-decanoyloxy-3-ethoxy-3-oxidanylidene-1-phenyl-propan-2-yl]azanium chloride

Systemtic Name: [(1S,2R)-1-decanoyloxy-3-ethoxy-3-oxidanylidene-1-phenyl-propan-2-yl]azanium chloride Openeye Name: [(1R)-1-[(S)-decanoyloxy(phenyl)methyl]-2-ethoxy-2-oxo-ethyl]ammonium chloride CAS Name: [(2R,3S)-1-ethoxy-1-oxo-3-(1-oxodecoxy)-3-phenylpropan-2-yl]ammonium chloride IUPAC Name: [(1S,2R)-1-decanoyloxy-3-ethoxy-3-oxo-1-phenylpropan-2-yl]azanium chloride Traditional Name: [(1R)-1-[(S)-capryloxy(phenyl)methyl]-2-ethoxy-2-keto-ethyl]ammonium chloride Formula: C21H34ClNO4 MolecularWeight: 399.95196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)OC(C1=CC=CC=C1)C(C(=O)OCC)[NH3+].[Cl-]

Isomeric SMILES

CCCCCCCCCC(=O)O[C@@H](C1=CC=CC=C1)[C@H](C(=O)OCC)[NH3+].[Cl-]

InChI

InChI=1S/C21H33NO4.ClH/c1-3-5-6-7-8-9-13-16-18(23)26-20(17-14-11-10-12-15-17)19(22)21(24)25-4-2;/h10-12,14-15,19-20H,3-9,13,16,22H2,1-2H3;1H/t19-,20+;/m1./s1