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

Systemtic Name: 6-[3-azanyl-5-(trifluoromethyl)phenyl]-5-methyl-phenanthridin-5-ium-3,8-diamine bromide Openeye Name: 6-[3-amino-5-(trifluoromethyl)phenyl]-5-methyl-phenanthridin-5-ium-3,8-diamine bromide CAS Name: 6-[3-amino-5-(trifluoromethyl)phenyl]-5-methylphenanthridin-5-ium-3,8-diamine bromide IUPAC Name: 6-[3-amino-5-(trifluoromethyl)phenyl]-5-methylphenanthridin-5-ium-3,8-diamine bromide Traditional Name: [3-amino-6-[3-amino-5-(trifluoromethyl)phenyl]-5-methyl-phenanthridin-5-ium-8-yl]amine bromide Formula: C21H18BrF3N4 MolecularWeight: 463.29363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17F3N4.BrH/c1-28-19-10-14(26)3-5-17(19)16-4-2-13(25)9-18(16)20(28)11-6-12(21(22,23)24)8-15(27)7-11;/h2-10,26H,25,27H2,1H3;1H