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

Systemtic Name: [4-(morpholin-4-ium-4-ylmethyl)-5-oxidanyl-1-benzofuran-3-yl]-phenyl-methanone chloride Openeye Name: [5-hydroxy-4-(morpholin-4-ium-4-ylmethyl)benzofuran-3-yl]-phenyl-methanone chloride CAS Name: [5-hydroxy-4-(4-morpholin-4-iumylmethyl)-3-benzofuranyl]-phenylmethanone chloride IUPAC Name: [5-hydroxy-4-(morpholin-4-ium-4-ylmethyl)-1-benzofuran-3-yl]-phenylmethanone chloride Traditional Name: [5-hydroxy-4-(morpholin-4-ium-4-ylmethyl)benzofuran-3-yl]-phenyl-methanone chloride Formula: C20H20ClNO4 MolecularWeight: 373.8301

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=C(C=CC3=C2C(=CO3)C(=O)C4=CC=CC=C4)O.[Cl-]

Isomeric SMILES

C1COCC[NH+]1CC2=C(C=CC3=C2C(=CO3)C(=O)C4=CC=CC=C4)O.[Cl-]

InChI

InChI=1S/C20H19NO4.ClH/c22-17-6-7-18-19(15(17)12-21-8-10-24-11-9-21)16(13-25-18)20(23)14-4-2-1-3-5-14;/h1-7,13,22H,8-12H2;1H