[1,5-bis(oxidanyl)-3-phenyl-pentan-3-yl]-didecyl-azanium chloride

Systemtic Name: [1,5-bis(oxidanyl)-3-phenyl-pentan-3-yl]-didecyl-azanium chloride Openeye Name: didecyl-[3-hydroxy-1-(2-hydroxyethyl)-1-phenyl-propyl]ammonium chloride CAS Name: didecyl-(1,5-dihydroxy-3-phenylpentan-3-yl)ammonium chloride IUPAC Name: didecyl-(1,5-dihydroxy-3-phenylpentan-3-yl)azanium chloride Traditional Name: didecyl-[3-hydroxy-1-(2-hydroxyethyl)-1-phenyl-propyl]ammonium chloride Formula: C31H58ClNO2 MolecularWeight: 512.25072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC[NH+](CCCCCCCCCC)C(CCO)(CCO)C1=CC=CC=C1.[Cl-]

Isomeric SMILES

CCCCCCCCCC[NH+](CCCCCCCCCC)C(CCO)(CCO)C1=CC=CC=C1.[Cl-]

InChI

InChI=1S/C31H57NO2.ClH/c1-3-5-7-9-11-13-15-20-26-32(27-21-16-14-12-10-8-6-4-2)31(24-28-33,25-29-34)30-22-18-17-19-23-30;/h17-19,22-23,33-34H,3-16,20-21,24-29H2,1-2H3;1H