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

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

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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+]5CCCCCC5)O

Isomeric SMILES

CC1=CC(=C(C2=C1C(=O)/C(=C/C3=CC4=C(O3)C=CC(=C4)Br)/O2)C[NH+]5CCCCCC5)O

InChI

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