[3-(4-methoxyphenyl)carbonyl-5-oxidanyl-benzo[g][1]benzofuran-4-yl]methyl-dimethyl-azanium chloride

Systemtic Name: [3-(4-methoxyphenyl)carbonyl-5-oxidanyl-benzo[g][1]benzofuran-4-yl]methyl-dimethyl-azanium chloride Openeye Name: [5-hydroxy-3-(4-methoxybenzoyl)benzo[g]benzofuran-4-yl]methyl-dimethyl-ammonium chloride CAS Name: [5-hydroxy-3-[(4-methoxyphenyl)-oxomethyl]-4-benzo[g]benzofuranyl]methyl-dimethylammonium chloride IUPAC Name: [5-hydroxy-3-(4-methoxybenzoyl)benzo[g][1]benzofuran-4-yl]methyl-dimethylazanium chloride Traditional Name: (5-hydroxy-3-p-anisoyl-benzo[g]benzofuran-4-yl)methyl-dimethyl-ammonium chloride Formula: C23H22ClNO4 MolecularWeight: 411.87808

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=C(C2=CC=CC=C2C3=C1C(=CO3)C(=O)C4=CC=C(C=C4)OC)O.[Cl-]

Isomeric SMILES

C[NH+](C)CC1=C(C2=CC=CC=C2C3=C1C(=CO3)C(=O)C4=CC=C(C=C4)OC)O.[Cl-]

InChI

InChI=1S/C23H21NO4.ClH/c1-24(2)12-18-20-19(21(25)14-8-10-15(27-3)11-9-14)13-28-23(20)17-7-5-4-6-16(17)22(18)26;/h4-11,13,26H,12H2,1-3H3;1H