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

Systemtic Name: (2Z)-2-[(5-bromanyl-1-benzofuran-2-yl)methylidene]-4-methyl-7-(morpholin-4-ium-4-ylmethyl)-6-oxidanyl-1-benzofuran-3-one Openeye Name: (2Z)-2-[(5-bromobenzofuran-2-yl)methylene]-6-hydroxy-4-methyl-7-(morpholin-4-ium-4-ylmethyl)benzofuran-3-one CAS Name: (2Z)-2-[(5-bromo-2-benzofuranyl)methylidene]-6-hydroxy-4-methyl-7-(4-morpholin-4-iumylmethyl)-3-benzofuranone IUPAC Name: (2Z)-2-[(5-bromo-1-benzofuran-2-yl)methylidene]-6-hydroxy-4-methyl-7-(morpholin-4-ium-4-ylmethyl)-1-benzofuran-3-one Traditional Name: (2Z)-2-[(5-bromobenzofuran-2-yl)methylene]-6-hydroxy-4-methyl-7-(morpholin-4-ium-4-ylmethyl)coumaran-3-one Formula: C23H21BrNO5+ MolecularWeight: 471.32054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1C(=O)C(=CC3=CC4=C(O3)C=CC(=C4)Br)O2)C[NH+]5CCOCC5)O

Isomeric SMILES

CC1=CC(=C(C2=C1C(=O)/C(=C/C3=CC4=C(O3)C=CC(=C4)Br)/O2)C[NH+]5CCOCC5)O

InChI

InChI=1S/C23H20BrNO5/c1-13-8-18(26)17(12-25-4-6-28-7-5-25)23-21(13)22(27)20(30-23)11-16-10-14-9-15(24)2-3-19(14)29-16/h2-3,8-11,26H,4-7,12H2,1H3/p+1/b20-11-