2-bromanyl-N-[6-methoxy-9-(trifluoromethyl)acenaphthyleno[1,2-b]quinoxalin-12-ium-12-yl]ethanamide

Systemtic Name: 2-bromanyl-N-[6-methoxy-9-(trifluoromethyl)acenaphthyleno[1,2-b]quinoxalin-12-ium-12-yl]ethanamide Openeye Name: 2-bromo-N-[6-methoxy-9-(trifluoromethyl)acenaphthyleno[1,2-b]quinoxalin-12-ium-12-yl]acetamide CAS Name: 2-bromo-N-[6-methoxy-9-(trifluoromethyl)-12-acenaphthyleno[1,2-b]quinoxalin-12-iumyl]acetamide IUPAC Name: 2-bromo-N-[6-methoxy-9-(trifluoromethyl)acenaphthyleno[1,2-b]quinoxalin-12-ium-12-yl]acetamide Traditional Name: 2-bromo-N-[6-methoxy-9-(trifluoromethyl)acenaphtho[1,2-b]quinoxalin-12-ium-12-yl]acetamide Formula: C22H14BrF3N3O2+ MolecularWeight: 489.26467

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C3=C(C=CC=C3C4=[N+](C5=C(C=C(C=C5)C(F)(F)F)N=C24)NC(=O)CBr)C=C1

Isomeric SMILES

COC1=C2C3=C(C=CC=C3C4=[N+](C5=C(C=C(C=C5)C(F)(F)F)N=C24)NC(=O)CBr)C=C1

InChI

InChI=1S/C22H13BrF3N3O2/c1-31-16-8-5-11-3-2-4-13-18(11)19(16)20-21(13)29(28-17(30)10-23)15-7-6-12(22(24,25)26)9-14(15)27-20/h2-9H,10H2,1H3/p+1