dimethyl-[[5-oxidanyl-3-[oxidanyl(phenyl)methyl]-1-benzofuran-4-yl]methyl]azanium chloride

Systemtic Name: dimethyl-[[5-oxidanyl-3-[oxidanyl(phenyl)methyl]-1-benzofuran-4-yl]methyl]azanium chloride Openeye Name: [5-hydroxy-3-[hydroxy(phenyl)methyl]benzofuran-4-yl]methyl-dimethyl-ammonium chloride CAS Name: [5-hydroxy-3-[hydroxy(phenyl)methyl]-4-benzofuranyl]methyl-dimethylammonium chloride IUPAC Name: [5-hydroxy-3-[hydroxy(phenyl)methyl]-1-benzofuran-4-yl]methyl-dimethylazanium chloride Traditional Name: [5-hydroxy-3-[hydroxy(phenyl)methyl]benzofuran-4-yl]methyl-dimethyl-ammonium chloride Formula: C18H20ClNO3 MolecularWeight: 333.8093

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=C(C=CC2=C1C(=CO2)C(C3=CC=CC=C3)O)O.[Cl-]

Isomeric SMILES

C[NH+](C)CC1=C(C=CC2=C1C(=CO2)C(C3=CC=CC=C3)O)O.[Cl-]

InChI

InChI=1S/C18H19NO3.ClH/c1-19(2)10-13-15(20)8-9-16-17(13)14(11-22-16)18(21)12-6-4-3-5-7-12;/h3-9,11,18,20-21H,10H2,1-2H3;1H