dimethyl-[2-oxidanyl-3-(3-phenylphenoxy)propyl]-propan-2-yl-azanium chloride

Systemtic Name: dimethyl-[2-oxidanyl-3-(3-phenylphenoxy)propyl]-propan-2-yl-azanium chloride Openeye Name: [2-hydroxy-3-(3-phenylphenoxy)propyl]-isopropyl-dimethyl-ammonium chloride CAS Name: [2-hydroxy-3-(3-phenylphenoxy)propyl]-dimethyl-propan-2-ylammonium chloride IUPAC Name: [2-hydroxy-3-(3-phenylphenoxy)propyl]-dimethyl-propan-2-ylazanium chloride Traditional Name: [2-hydroxy-3-(3-phenylphenoxy)propyl]-isopropyl-dimethyl-ammonium chloride Formula: C20H28ClNO2 MolecularWeight: 349.89482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+](C)(C)CC(COC1=CC=CC(=C1)C2=CC=CC=C2)O.[Cl-]

Isomeric SMILES

CC(C)[N+](C)(C)CC(COC1=CC=CC(=C1)C2=CC=CC=C2)O.[Cl-]

InChI

InChI=1S/C20H28NO2.ClH/c1-16(2)21(3,4)14-19(22)15-23-20-12-8-11-18(13-20)17-9-6-5-7-10-17;/h5-13,16,19,22H,14-15H2,1-4H3;1H/q+1;/p-1