(4-methylphenyl)-[4-(morpholin-4-ium-4-ylmethyl)-5-oxidanyl-1-benzofuran-3-yl]methanone chloride

Systemtic Name: (4-methylphenyl)-[4-(morpholin-4-ium-4-ylmethyl)-5-oxidanyl-1-benzofuran-3-yl]methanone chloride Openeye Name: [5-hydroxy-4-(morpholin-4-ium-4-ylmethyl)benzofuran-3-yl]-(p-tolyl)methanone chloride CAS Name: [5-hydroxy-4-(4-morpholin-4-iumylmethyl)-3-benzofuranyl]-(4-methylphenyl)methanone chloride IUPAC Name: [5-hydroxy-4-(morpholin-4-ium-4-ylmethyl)-1-benzofuran-3-yl]-(4-methylphenyl)methanone chloride Traditional Name: [5-hydroxy-4-(morpholin-4-ium-4-ylmethyl)benzofuran-3-yl]-(p-tolyl)methanone chloride Formula: C21H22ClNO4 MolecularWeight: 387.85668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=COC3=C2C(=C(C=C3)O)C[NH+]4CCOCC4.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=COC3=C2C(=C(C=C3)O)C[NH+]4CCOCC4.[Cl-]

InChI

InChI=1S/C21H21NO4.ClH/c1-14-2-4-15(5-3-14)21(24)17-13-26-19-7-6-18(23)16(20(17)19)12-22-8-10-25-11-9-22;/h2-7,13,23H,8-12H2,1H3;1H