(2Z)-2-(1-benzofuran-2-ylmethylidene)-4-methyl-7-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-6-oxidanyl-1-benzofuran-3-one

Systemtic Name: (2Z)-2-(1-benzofuran-2-ylmethylidene)-4-methyl-7-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-6-oxidanyl-1-benzofuran-3-one Openeye Name: (2Z)-2-(benzofuran-2-ylmethylene)-6-hydroxy-4-methyl-7-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]benzofuran-3-one CAS Name: (2Z)-2-(2-benzofuranylmethylidene)-6-hydroxy-4-methyl-7-[[(2R)-2-methyl-1-piperidin-1-iumyl]methyl]-3-benzofuranone IUPAC Name: (2Z)-2-(1-benzofuran-2-ylmethylidene)-6-hydroxy-4-methyl-7-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-1-benzofuran-3-one Traditional Name: (2Z)-2-(benzofuran-2-ylmethylene)-6-hydroxy-4-methyl-7-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]coumaran-3-one Formula: C25H26NO4+ MolecularWeight: 404.47824

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=C(C=C(C3=C2OC(=CC4=CC5=CC=CC=C5O4)C3=O)C)O

Isomeric SMILES

C[C@@H]1CCCC[NH+]1CC2=C(C=C(C3=C2O/C(=C\C4=CC5=CC=CC=C5O4)/C3=O)C)O

InChI

InChI=1S/C25H25NO4/c1-15-11-20(27)19(14-26-10-6-5-7-16(26)2)25-23(15)24(28)22(30-25)13-18-12-17-8-3-4-9-21(17)29-18/h3-4,8-9,11-13,16,27H,5-7,10,14H2,1-2H3/p+1/b22-13-/t16-/m1/s1