(2Z)-2-[(5-bromanyl-1-benzofuran-2-yl)methylidene]-4-methyl-7-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-6-oxidanyl-1-benzofuran-3-one

Systemtic Name: (2Z)-2-[(5-bromanyl-1-benzofuran-2-yl)methylidene]-4-methyl-7-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-6-oxidanyl-1-benzofuran-3-one Openeye Name: (2Z)-2-[(5-bromobenzofuran-2-yl)methylene]-6-hydroxy-4-methyl-7-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]benzofuran-3-one CAS Name: (2Z)-2-[(5-bromo-2-benzofuranyl)methylidene]-6-hydroxy-4-methyl-7-[[(2R)-2-methyl-1-piperidin-1-iumyl]methyl]-3-benzofuranone IUPAC Name: (2Z)-2-[(5-bromo-1-benzofuran-2-yl)methylidene]-6-hydroxy-4-methyl-7-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-1-benzofuran-3-one Traditional Name: (2Z)-2-[(5-bromobenzofuran-2-yl)methylene]-6-hydroxy-4-methyl-7-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]coumaran-3-one Formula: C25H25BrNO4+ MolecularWeight: 483.3743

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=C(C=C(C3=C2OC(=CC4=CC5=C(O4)C=CC(=C5)Br)C3=O)C)O

Isomeric SMILES

C[C@@H]1CCCC[NH+]1CC2=C(C=C(C3=C2O/C(=C\C4=CC5=C(O4)C=CC(=C5)Br)/C3=O)C)O

InChI

InChI=1S/C25H24BrNO4/c1-14-9-20(28)19(13-27-8-4-3-5-15(27)2)25-23(14)24(29)22(31-25)12-18-11-16-10-17(26)6-7-21(16)30-18/h6-7,9-12,15,28H,3-5,8,13H2,1-2H3/p+1/b22-12-/t15-/m1/s1