1-[3-(1H-benzimidazol-3-ium-2-yl)-5-(4-bromophenyl)-1,3-dihydropyrazol-2-yl]-2-morpholin-4-ium-4-yl-ethanone

Systemtic Name: 1-[3-(1H-benzimidazol-3-ium-2-yl)-5-(4-bromophenyl)-1,3-dihydropyrazol-2-yl]-2-morpholin-4-ium-4-yl-ethanone Openeye Name: 1-[3-(1H-benzimidazol-3-ium-2-yl)-5-(4-bromophenyl)-1,3-dihydropyrazol-2-yl]-2-morpholin-4-ium-4-yl-ethanone CAS Name: 1-[3-(1H-benzimidazol-3-ium-2-yl)-5-(4-bromophenyl)-1,3-dihydropyrazol-2-yl]-2-(4-morpholin-4-iumyl)ethanone IUPAC Name: 1-[3-(1H-benzimidazol-3-ium-2-yl)-5-(4-bromophenyl)-1,3-dihydropyrazol-2-yl]-2-morpholin-4-ium-4-ylethanone Traditional Name: 1-[5-(1H-benzimidazol-3-ium-2-yl)-3-(4-bromophenyl)-3-pyrazolin-1-yl]-2-morpholin-4-ium-4-yl-ethanone Formula: C22H24BrN5O2+2 MolecularWeight: 470.36226

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(=O)N2C(C=C(N2)C3=CC=C(C=C3)Br)C4=[NH+]C5=CC=CC=C5N4

Isomeric SMILES

C1COCC[NH+]1CC(=O)N2C(C=C(N2)C3=CC=C(C=C3)Br)C4=[NH+]C5=CC=CC=C5N4

InChI

InChI=1S/C22H22BrN5O2/c23-16-7-5-15(6-8-16)19-13-20(22-24-17-3-1-2-4-18(17)25-22)28(26-19)21(29)14-27-9-11-30-12-10-27/h1-8,13,20,26H,9-12,14H2,(H,24,25)/p+2