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

Systemtic Name: dimethyl-[2-oxidanyl-3-[2-(3-phenylpropyl)phenoxy]propyl]azanium chloride Openeye Name: [2-hydroxy-3-[2-(3-phenylpropyl)phenoxy]propyl]-dimethyl-ammonium chloride CAS Name: [2-hydroxy-3-[2-(3-phenylpropyl)phenoxy]propyl]-dimethylammonium chloride IUPAC Name: [2-hydroxy-3-[2-(3-phenylpropyl)phenoxy]propyl]-dimethylazanium chloride Traditional Name: [2-hydroxy-3-[2-(3-phenylpropyl)phenoxy]propyl]-dimethyl-ammonium chloride Formula: C20H28ClNO2 MolecularWeight: 349.89482

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC(COC1=CC=CC=C1CCCC2=CC=CC=C2)O.[Cl-]

Isomeric SMILES

C[NH+](C)CC(COC1=CC=CC=C1CCCC2=CC=CC=C2)O.[Cl-]

InChI

InChI=1S/C20H27NO2.ClH/c1-21(2)15-19(22)16-23-20-14-7-6-12-18(20)13-8-11-17-9-4-3-5-10-17;/h3-7,9-10,12,14,19,22H,8,11,13,15-16H2,1-2H3;1H