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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25BrN4.2ClH/c1-3-25(4-2)14-7-15-26-21(17-10-12-18(23)13-11-17)16-27-20-9-6-5-8-19(20)24-22(26)27;;/h5-6,8-13,16H,3-4,7,14-15H2,1-2H3;2*1H