(E)-3-(4-bromophenyl)-1-[4-(2-morpholin-4-ylethyl)-2-phenyl-3H-imidazo[1,2-a]benzimidazol-4-ium-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(4-bromophenyl)-1-[4-(2-morpholin-4-ylethyl)-2-phenyl-3H-imidazo[1,2-a]benzimidazol-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(4-bromophenyl)-1-[4-(2-morpholinoethyl)-2-phenyl-3H-imidazo[1,2-a]benzimidazol-4-ium-1-yl]prop-2-en-1-one CAS Name: (E)-3-(4-bromophenyl)-1-[4-[2-(4-morpholinyl)ethyl]-2-phenyl-3H-imidazo[1,2-a]benzimidazol-4-ium-1-yl]-2-propen-1-one IUPAC Name: (E)-3-(4-bromophenyl)-1-[4-(2-morpholin-4-ylethyl)-2-phenyl-3H-imidazo[1,2-a]benzimidazol-4-ium-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(4-bromophenyl)-1-[4-(2-morpholinoethyl)-2-phenyl-3H-imidazo[1,2-a]benzimidazol-4-ium-1-yl]prop-2-en-1-one Formula: C30H28BrN4O2+ MolecularWeight: 556.47292

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC[N+]2=C3NC(=C(N3C4=CC=CC=C42)C(=O)C=CC5=CC=C(C=C5)Br)C6=CC=CC=C6

Isomeric SMILES

C1COCCN1CC[N+]2=C3NC(=C(N3C4=CC=CC=C42)C(=O)/C=C/C5=CC=C(C=C5)Br)C6=CC=CC=C6

InChI

InChI=1S/C30H27BrN4O2/c31-24-13-10-22(11-14-24)12-15-27(36)29-28(23-6-2-1-3-7-23)32-30-34(17-16-33-18-20-37-21-19-33)25-8-4-5-9-26(25)35(29)30/h1-15H,16-21H2/p+1/b15-12+