(2Z)-7-(azepan-1-ium-1-ylmethyl)-2-[(5-methylfuran-2-yl)methylidene]-6-oxidanyl-1-benzofuran-3-one

Systemtic Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-2-[(5-methylfuran-2-yl)methylidene]-6-oxidanyl-1-benzofuran-3-one Openeye Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-6-hydroxy-2-[(5-methyl-2-furyl)methylene]benzofuran-3-one CAS Name: (2Z)-7-(1-azepan-1-iumylmethyl)-6-hydroxy-2-[(5-methyl-2-furanyl)methylidene]-3-benzofuranone IUPAC Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-6-hydroxy-2-[(5-methylfuran-2-yl)methylidene]-1-benzofuran-3-one Traditional Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-6-hydroxy-2-[(5-methyl-2-furyl)methylene]coumaran-3-one Formula: C21H24NO4+ MolecularWeight: 354.41956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C=C2C(=O)C3=C(O2)C(=C(C=C3)O)C[NH+]4CCCCCC4

Isomeric SMILES

CC1=CC=C(O1)/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)O)C[NH+]4CCCCCC4

InChI

InChI=1S/C21H23NO4/c1-14-6-7-15(25-14)12-19-20(24)16-8-9-18(23)17(21(16)26-19)13-22-10-4-2-3-5-11-22/h6-9,12,23H,2-5,10-11,13H2,1H3/p+1/b19-12-