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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(C=CC3=C2OC(=CC4=CC=C(O4)C)C3=O)O

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=C(C=CC3=C2O/C(=C\C4=CC=C(O4)C)/C3=O)O

InChI

InChI=1S/C21H23NO4/c1-13-4-3-9-22(11-13)12-17-18(23)8-7-16-20(24)19(26-21(16)17)10-15-6-5-14(2)25-15/h5-8,10,13,23H,3-4,9,11-12H2,1-2H3/p+1/b19-10-/t13-/m0/s1