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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(C=C(C3=C2OC(=CC4=CC5=C(O4)C=CC(=C5)Br)C3=O)C)O

Isomeric SMILES

C[C@@H]1CCC[NH+](C1)CC2=C(C=C(C3=C2O/C(=C\C4=CC5=C(O4)C=CC(=C5)Br)/C3=O)C)O

InChI

InChI=1S/C25H24BrNO4/c1-14-4-3-7-27(12-14)13-19-20(28)8-15(2)23-24(29)22(31-25(19)23)11-18-10-16-9-17(26)5-6-21(16)30-18/h5-6,8-11,14,28H,3-4,7,12-13H2,1-2H3/p+1/b22-11-/t14-/m1/s1