(2Z)-2-[(5-methylfuran-2-yl)methylidene]-7-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-6-oxidanyl-1-benzofuran-3-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=C(C=CC3=C2OC(=CC4=CC=C(O4)C)C3=O)O

Isomeric SMILES

C[C@H]1CCCC[NH+]1CC2=C(C=CC3=C2O/C(=C\C4=CC=C(O4)C)/C3=O)O

InChI

InChI=1S/C21H23NO4/c1-13-5-3-4-10-22(13)12-17-18(23)9-8-16-20(24)19(26-21(16)17)11-15-7-6-14(2)25-15/h6-9,11,13,23H,3-5,10,12H2,1-2H3/p+1/b19-11-/t13-/m0/s1