6-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-phenanthridin-5-ium-3,8-diamine bromide

Systemtic Name: 6-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-phenanthridin-5-ium-3,8-diamine bromide Openeye Name: 6-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-phenanthridin-5-ium-3,8-diamine bromide CAS Name: 6-[3,5-bis(trifluoromethyl)phenyl]-5-methylphenanthridin-5-ium-3,8-diamine bromide IUPAC Name: 6-[3,5-bis(trifluoromethyl)phenyl]-5-methylphenanthridin-5-ium-3,8-diamine bromide Traditional Name: [3-amino-6-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-phenanthridin-5-ium-8-yl]amine bromide Formula: C22H16BrF6N3 MolecularWeight: 516.276959

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)N)N.[Br-]

Isomeric SMILES

C[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)N)N.[Br-]

InChI

InChI=1S/C22H15F6N3.BrH/c1-31-19-10-15(30)3-5-17(19)16-4-2-14(29)9-18(16)20(31)11-6-12(21(23,24)25)8-13(7-11)22(26,27)28;/h2-10,30H,29H2,1H3;1H