1,3-bis[[2-bromanyl-4-(trifluoromethyl)phenoxy]methyl]benzimidazol-3-ium-2-amine chloride

Systemtic Name: 1,3-bis[[2-bromanyl-4-(trifluoromethyl)phenoxy]methyl]benzimidazol-3-ium-2-amine chloride Openeye Name: 1,3-bis[[2-bromo-4-(trifluoromethyl)phenoxy]methyl]benzimidazol-3-ium-2-amine chloride CAS Name: 1,3-bis[[2-bromo-4-(trifluoromethyl)phenoxy]methyl]-2-benzimidazol-3-iumamine chloride IUPAC Name: 1,3-bis[[2-bromo-4-(trifluoromethyl)phenoxy]methyl]benzimidazol-3-ium-2-amine chloride Traditional Name: [1,3-bis[[2-bromo-4-(trifluoromethyl)phenoxy]methyl]benzimidazol-3-ium-2-yl]amine chloride Formula: C23H16Br2ClF6N3O2 MolecularWeight: 675.643459

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=[N+]2COC3=C(C=C(C=C3)C(F)(F)F)Br)N)COC4=C(C=C(C=C4)C(F)(F)F)Br.[Cl-]

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=[N+]2COC3=C(C=C(C=C3)C(F)(F)F)Br)N)COC4=C(C=C(C=C4)C(F)(F)F)Br.[Cl-]

InChI

InChI=1S/C23H15Br2F6N3O2.ClH/c24-15-9-13(22(26,27)28)5-7-19(15)35-11-33-17-3-1-2-4-18(17)34(21(33)32)12-36-20-8-6-14(10-16(20)25)23(29,30)31;/h1-10,32H,11-12H2;1H