2-bromanyl-N-[9-(trifluoromethyl)acenaphthyleno[2,1-b]quinoxalin-12-ium-12-yl]ethanamide

Systemtic Name: 2-bromanyl-N-[9-(trifluoromethyl)acenaphthyleno[2,1-b]quinoxalin-12-ium-12-yl]ethanamide Openeye Name: 2-bromo-N-[9-(trifluoromethyl)acenaphthyleno[2,1-b]quinoxalin-12-ium-12-yl]acetamide CAS Name: 2-bromo-N-[9-(trifluoromethyl)-12-acenaphthyleno[2,1-b]quinoxalin-12-iumyl]acetamide IUPAC Name: 2-bromo-N-[9-(trifluoromethyl)acenaphthyleno[2,1-b]quinoxalin-12-ium-12-yl]acetamide Traditional Name: 2-bromo-N-[9-(trifluoromethyl)acenaphtho[2,1-b]quinoxalin-12-ium-12-yl]acetamide Formula: C21H12BrF3N3O+ MolecularWeight: 459.23869

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C4=NC5=C(C=CC(=C5)C(F)(F)F)[N+](=C4C3=CC=C2)NC(=O)CBr

Isomeric SMILES

C1=CC2=C3C(=C1)C4=NC5=C(C=CC(=C5)C(F)(F)F)[N+](=C4C3=CC=C2)NC(=O)CBr

InChI

InChI=1S/C21H11BrF3N3O/c22-10-17(29)27-28-16-8-7-12(21(23,24)25)9-15(16)26-19-13-5-1-3-11-4-2-6-14(18(11)13)20(19)28/h1-9H,10H2/p+1