[1-acetyloxy-3-(2-acetyloxyethyl)-3-phenyl-pentadecan-4-yl]azanium chloride

Systemtic Name: [1-acetyloxy-3-(2-acetyloxyethyl)-3-phenyl-pentadecan-4-yl]azanium chloride Openeye Name: 1-[3-acetoxy-1-(2-acetoxyethyl)-1-phenyl-propyl]dodecylammonium chloride CAS Name: [1-acetyloxy-3-(2-acetyloxyethyl)-3-phenylpentadecan-4-yl]ammonium chloride IUPAC Name: [1-acetyloxy-3-(2-acetyloxyethyl)-3-phenylpentadecan-4-yl]azanium chloride Traditional Name: 1-[3-acetoxy-1-(2-acetoxyethyl)-1-phenyl-propyl]dodecylammonium chloride Formula: C27H46ClNO4 MolecularWeight: 484.11144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(C(CCOC(=O)C)(CCOC(=O)C)C1=CC=CC=C1)[NH3+].[Cl-]

Isomeric SMILES

CCCCCCCCCCCC(C(CCOC(=O)C)(CCOC(=O)C)C1=CC=CC=C1)[NH3+].[Cl-]

InChI

InChI=1S/C27H45NO4.ClH/c1-4-5-6-7-8-9-10-11-15-18-26(28)27(19-21-31-23(2)29,20-22-32-24(3)30)25-16-13-12-14-17-25;/h12-14,16-17,26H,4-11,15,18-22,28H2,1-3H3;1H