[3-(4-chlorophenyl)-2-methyl-6-oxidanyl-1-benzofuran-7-yl]methyl-dimethyl-azanium chloride

Systemtic Name: [3-(4-chlorophenyl)-2-methyl-6-oxidanyl-1-benzofuran-7-yl]methyl-dimethyl-azanium chloride Openeye Name: [3-(4-chlorophenyl)-6-hydroxy-2-methyl-benzofuran-7-yl]methyl-dimethyl-ammonium chloride CAS Name: [3-(4-chlorophenyl)-6-hydroxy-2-methyl-7-benzofuranyl]methyl-dimethylammonium chloride IUPAC Name: [3-(4-chlorophenyl)-6-hydroxy-2-methyl-1-benzofuran-7-yl]methyl-dimethylazanium chloride Traditional Name: [3-(4-chlorophenyl)-6-hydroxy-2-methyl-benzofuran-7-yl]methyl-dimethyl-ammonium chloride Formula: C18H19Cl2NO2 MolecularWeight: 352.25496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)C(=C(C=C2)O)C[NH+](C)C)C3=CC=C(C=C3)Cl.[Cl-]

Isomeric SMILES

CC1=C(C2=C(O1)C(=C(C=C2)O)C[NH+](C)C)C3=CC=C(C=C3)Cl.[Cl-]

InChI

InChI=1S/C18H18ClNO2.ClH/c1-11-17(12-4-6-13(19)7-5-12)14-8-9-16(21)15(10-20(2)3)18(14)22-11;/h4-9,21H,10H2,1-3H3;1H