dimethyl-[2-oxidanyl-3-[2-(6-phenylhexyl)phenoxy]propyl]azanium chloride

Systemtic Name: dimethyl-[2-oxidanyl-3-[2-(6-phenylhexyl)phenoxy]propyl]azanium chloride Openeye Name: [2-hydroxy-3-[2-(6-phenylhexyl)phenoxy]propyl]-dimethyl-ammonium chloride CAS Name: [2-hydroxy-3-[2-(6-phenylhexyl)phenoxy]propyl]-dimethylammonium chloride IUPAC Name: [2-hydroxy-3-[2-(6-phenylhexyl)phenoxy]propyl]-dimethylazanium chloride Traditional Name: [2-hydroxy-3-[2-(6-phenylhexyl)phenoxy]propyl]-dimethyl-ammonium chloride Formula: C23H34ClNO2 MolecularWeight: 391.97456

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC(COC1=CC=CC=C1CCCCCCC2=CC=CC=C2)O.[Cl-]

Isomeric SMILES

C[NH+](C)CC(COC1=CC=CC=C1CCCCCCC2=CC=CC=C2)O.[Cl-]

InChI

InChI=1S/C23H33NO2.ClH/c1-24(2)18-22(25)19-26-23-17-11-10-16-21(23)15-9-4-3-6-12-20-13-7-5-8-14-20;/h5,7-8,10-11,13-14,16-17,22,25H,3-4,6,9,12,15,18-19H2,1-2H3;1H