3-[2-(4-bromophenyl)-4H-imidazo[1,2-a]benzimidazol-9-ium-3-yl]propyl-propan-2-yl-azanium

Systemtic Name: 3-[2-(4-bromophenyl)-4H-imidazo[1,2-a]benzimidazol-9-ium-3-yl]propyl-propan-2-yl-azanium Openeye Name: 3-[2-(4-bromophenyl)-4H-imidazo[1,2-a]benzimidazol-9-ium-3-yl]propyl-isopropyl-ammonium CAS Name: 3-[2-(4-bromophenyl)-4H-imidazo[1,2-a]benzimidazol-9-ium-3-yl]propyl-propan-2-ylammonium IUPAC Name: 3-[2-(4-bromophenyl)-4H-imidazo[1,2-a]benzimidazol-9-ium-3-yl]propyl-propan-2-ylazanium Traditional Name: 3-[2-(4-bromophenyl)-4H-imidazo[1,2-a]benzimidazol-9-ium-3-yl]propyl-isopropyl-ammonium Formula: C21H25BrN4+2 MolecularWeight: 413.354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH2+]CCCN1C(=C[N+]2=C1NC3=CC=CC=C32)C4=CC=C(C=C4)Br

Isomeric SMILES

CC(C)[NH2+]CCCN1C(=C[N+]2=C1NC3=CC=CC=C32)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H23BrN4/c1-15(2)23-12-5-13-25-20(16-8-10-17(22)11-9-16)14-26-19-7-4-3-6-18(19)24-21(25)26/h3-4,6-11,14-15,23H,5,12-13H2,1-2H3/p+2