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

Systemtic Name: (2Z)-2-[(5-bromanyl-1-benzofuran-2-yl)methylidene]-4-methyl-6-oxidanyl-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-one Openeye Name: (2Z)-2-[(5-bromobenzofuran-2-yl)methylene]-6-hydroxy-4-methyl-7-(piperidin-1-ium-1-ylmethyl)benzofuran-3-one CAS Name: (2Z)-2-[(5-bromo-2-benzofuranyl)methylidene]-6-hydroxy-4-methyl-7-(1-piperidin-1-iumylmethyl)-3-benzofuranone IUPAC Name: (2Z)-2-[(5-bromo-1-benzofuran-2-yl)methylidene]-6-hydroxy-4-methyl-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-one Traditional Name: (2Z)-2-[(5-bromobenzofuran-2-yl)methylene]-6-hydroxy-4-methyl-7-(piperidin-1-ium-1-ylmethyl)coumaran-3-one Formula: C24H23BrNO4+ MolecularWeight: 469.34772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1C(=O)C(=CC3=CC4=C(O3)C=CC(=C4)Br)O2)C[NH+]5CCCCC5)O

Isomeric SMILES

CC1=CC(=C(C2=C1C(=O)/C(=C/C3=CC4=C(O3)C=CC(=C4)Br)/O2)C[NH+]5CCCCC5)O

InChI

InChI=1S/C24H22BrNO4/c1-14-9-19(27)18(13-26-7-3-2-4-8-26)24-22(14)23(28)21(30-24)12-17-11-15-10-16(25)5-6-20(15)29-17/h5-6,9-12,27H,2-4,7-8,13H2,1H3/p+1/b21-12-