4-bromanyl-6-[[[2-(4-fluorophenyl)-3H-benzimidazol-1-ium-5-yl]amino]methylidene]-2-methoxy-cyclohexa-2,4-dien-1-one

Systemtic Name: 4-bromanyl-6-[[[2-(4-fluorophenyl)-3H-benzimidazol-1-ium-5-yl]amino]methylidene]-2-methoxy-cyclohexa-2,4-dien-1-one Openeye Name: 4-bromo-6-[[[2-(4-fluorophenyl)-3H-benzimidazol-1-ium-5-yl]amino]methylene]-2-methoxy-cyclohexa-2,4-dien-1-one CAS Name: 4-bromo-6-[[[2-(4-fluorophenyl)-3H-benzimidazol-1-ium-5-yl]amino]methylidene]-2-methoxy-1-cyclohexa-2,4-dienone IUPAC Name: 4-bromo-6-[[[2-(4-fluorophenyl)-3H-benzimidazol-1-ium-5-yl]amino]methylidene]-2-methoxycyclohexa-2,4-dien-1-one Traditional Name: 4-bromo-6-[[[2-(4-fluorophenyl)-3H-benzimidazol-1-ium-5-yl]amino]methylene]-2-methoxy-cyclohexa-2,4-dien-1-one Formula: C21H16BrFN3O2+ MolecularWeight: 441.273043

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=CNC2=CC3=C(C=C2)[NH+]=C(N3)C4=CC=C(C=C4)F)C1=O)Br

Isomeric SMILES

COC1=CC(=CC(=CNC2=CC3=C(C=C2)[NH+]=C(N3)C4=CC=C(C=C4)F)C1=O)Br

InChI

InChI=1S/C21H15BrFN3O2/c1-28-19-9-14(22)8-13(20(19)27)11-24-16-6-7-17-18(10-16)26-21(25-17)12-2-4-15(23)5-3-12/h2-11,24H,1H3,(H,25,26)/p+1