4-[4-(4-chlorophenyl)piperazin-4-ium-1-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine chloride

Systemtic Name: 4-[4-(4-chlorophenyl)piperazin-4-ium-1-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine chloride Openeye Name: 4-[4-(4-chlorophenyl)piperazin-4-ium-1-yl]-2-phenyl-benzofuro[3,2-d]pyrimidine chloride CAS Name: 4-[4-(4-chlorophenyl)-1-piperazin-4-iumyl]-2-phenylbenzofuro[3,2-d]pyrimidine chloride IUPAC Name: 4-[4-(4-chlorophenyl)piperazin-4-ium-1-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine chloride Traditional Name: 4-[4-(4-chlorophenyl)piperazin-4-ium-1-yl]-2-phenyl-benzofuro[3,2-d]pyrimidine chloride Formula: C26H22Cl2N4O MolecularWeight: 477.38508

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2=CC=C(C=C2)Cl)C3=NC(=NC4=C3OC5=CC=CC=C54)C6=CC=CC=C6.[Cl-]

Isomeric SMILES

C1CN(CC[NH+]1C2=CC=C(C=C2)Cl)C3=NC(=NC4=C3OC5=CC=CC=C54)C6=CC=CC=C6.[Cl-]

InChI

InChI=1S/C26H21ClN4O.ClH/c27-19-10-12-20(13-11-19)30-14-16-31(17-15-30)26-24-23(21-8-4-5-9-22(21)32-24)28-25(29-26)18-6-2-1-3-7-18;/h1-13H,14-17H2;1H