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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(C=C(C3=C2OC(=CC4=CC5=CC=CC=C5O4)C3=O)C)O

Isomeric SMILES

C[C@@H]1CCC[NH+](C1)CC2=C(C=C(C3=C2O/C(=C\C4=CC5=CC=CC=C5O4)/C3=O)C)O

InChI

InChI=1S/C25H25NO4/c1-15-6-5-9-26(13-15)14-19-20(27)10-16(2)23-24(28)22(30-25(19)23)12-18-11-17-7-3-4-8-21(17)29-18/h3-4,7-8,10-12,15,27H,5-6,9,13-14H2,1-2H3/p+1/b22-12-/t15-/m1/s1