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

Systemtic Name: 3-[2-(4-bromophenyl)-4H-imidazo[1,2-a]benzimidazol-9-ium-3-yl]propyl-tert-butyl-azanium dichloride Openeye Name: 3-[2-(4-bromophenyl)-4H-imidazo[1,2-a]benzimidazol-9-ium-3-yl]propyl-tert-butyl-ammonium dichloride CAS Name: 3-[2-(4-bromophenyl)-4H-imidazo[1,2-a]benzimidazol-9-ium-3-yl]propyl-tert-butylammonium dichloride IUPAC Name: 3-[2-(4-bromophenyl)-4H-imidazo[1,2-a]benzimidazol-9-ium-3-yl]propyl-tert-butylazanium dichloride Traditional Name: 3-[2-(4-bromophenyl)-4H-imidazo[1,2-a]benzimidazol-9-ium-3-yl]propyl-tert-butyl-ammonium dichloride Formula: C22H27BrCl2N4 MolecularWeight: 498.28658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25BrN4.2ClH/c1-22(2,3)24-13-6-14-26-20(16-9-11-17(23)12-10-16)15-27-19-8-5-4-7-18(19)25-21(26)27;;/h4-5,7-12,15,24H,6,13-14H2,1-3H3;2*1H