2-(4-bromophenyl)-3-(3-piperidin-1-ium-1-ylpropyl)-4H-imidazo[1,2-a]benzimidazol-9-ium

Systemtic Name: 2-(4-bromophenyl)-3-(3-piperidin-1-ium-1-ylpropyl)-4H-imidazo[1,2-a]benzimidazol-9-ium Openeye Name: 2-(4-bromophenyl)-3-(3-piperidin-1-ium-1-ylpropyl)-4H-imidazo[1,2-a]benzimidazol-9-ium CAS Name: 2-(4-bromophenyl)-3-[3-(1-piperidin-1-iumyl)propyl]-4H-imidazo[1,2-a]benzimidazol-9-ium IUPAC Name: 2-(4-bromophenyl)-3-(3-piperidin-1-ium-1-ylpropyl)-4H-imidazo[1,2-a]benzimidazol-9-ium Traditional Name: 2-(4-bromophenyl)-3-(3-piperidin-1-ium-1-ylpropyl)-4H-imidazo[1,2-a]benzimidazol-9-ium Formula: C23H27BrN4+2 MolecularWeight: 439.39128

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCCN2C(=C[N+]3=C2NC4=CC=CC=C43)C5=CC=C(C=C5)Br

Isomeric SMILES

C1CC[NH+](CC1)CCCN2C(=C[N+]3=C2NC4=CC=CC=C43)C5=CC=C(C=C5)Br

InChI

InChI=1S/C23H25BrN4/c24-19-11-9-18(10-12-19)22-17-28-21-8-3-2-7-20(21)25-23(28)27(22)16-6-15-26-13-4-1-5-14-26/h2-3,7-12,17H,1,4-6,13-16H2/p+2