2-[2-(4-bromophenyl)-4H-imidazo[1,2-a]benzimidazol-9-ium-3-yl]ethyl-tert-butyl-azanium

Systemtic Name: 2-[2-(4-bromophenyl)-4H-imidazo[1,2-a]benzimidazol-9-ium-3-yl]ethyl-tert-butyl-azanium Openeye Name: 2-[2-(4-bromophenyl)-4H-imidazo[1,2-a]benzimidazol-9-ium-3-yl]ethyl-tert-butyl-ammonium CAS Name: 2-[2-(4-bromophenyl)-4H-imidazo[1,2-a]benzimidazol-9-ium-3-yl]ethyl-tert-butylammonium IUPAC Name: 2-[2-(4-bromophenyl)-4H-imidazo[1,2-a]benzimidazol-9-ium-3-yl]ethyl-tert-butylazanium Traditional Name: 2-[2-(4-bromophenyl)-4H-imidazo[1,2-a]benzimidazol-9-ium-3-yl]ethyl-tert-butyl-ammonium Formula: C21H25BrN4+2 MolecularWeight: 413.354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH2+]CCN1C(=C[N+]2=C1NC3=CC=CC=C32)C4=CC=C(C=C4)Br

Isomeric SMILES

CC(C)(C)[NH2+]CCN1C(=C[N+]2=C1NC3=CC=CC=C32)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H23BrN4/c1-21(2,3)23-12-13-25-19(15-8-10-16(22)11-9-15)14-26-18-7-5-4-6-17(18)24-20(25)26/h4-11,14,23H,12-13H2,1-3H3/p+2