dimethyl-[2-oxidanyl-3-[2-(4-phenylbutyl)phenoxy]propyl]azanium chloride

Systemtic Name: dimethyl-[2-oxidanyl-3-[2-(4-phenylbutyl)phenoxy]propyl]azanium chloride Openeye Name: [2-hydroxy-3-[2-(4-phenylbutyl)phenoxy]propyl]-dimethyl-ammonium chloride CAS Name: [2-hydroxy-3-[2-(4-phenylbutyl)phenoxy]propyl]-dimethylammonium chloride IUPAC Name: [2-hydroxy-3-[2-(4-phenylbutyl)phenoxy]propyl]-dimethylazanium chloride Traditional Name: [2-hydroxy-3-[2-(4-phenylbutyl)phenoxy]propyl]-dimethyl-ammonium chloride Formula: C21H30ClNO2 MolecularWeight: 363.9214

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC(COC1=CC=CC=C1CCCCC2=CC=CC=C2)O.[Cl-]

Isomeric SMILES

C[NH+](C)CC(COC1=CC=CC=C1CCCCC2=CC=CC=C2)O.[Cl-]

InChI

InChI=1S/C21H29NO2.ClH/c1-22(2)16-20(23)17-24-21-15-9-8-14-19(21)13-7-6-12-18-10-4-3-5-11-18;/h3-5,8-11,14-15,20,23H,6-7,12-13,16-17H2,1-2H3;1H