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

Systemtic Name: 4-[4-(2-fluorophenyl)piperazin-4-ium-1-yl]-2-methyl-[1]benzofuro[3,2-d]pyrimidine chloride Openeye Name: 4-[4-(2-fluorophenyl)piperazin-4-ium-1-yl]-2-methyl-benzofuro[3,2-d]pyrimidine chloride CAS Name: 4-[4-(2-fluorophenyl)-1-piperazin-4-iumyl]-2-methylbenzofuro[3,2-d]pyrimidine chloride IUPAC Name: 4-[4-(2-fluorophenyl)piperazin-4-ium-1-yl]-2-methyl-[1]benzofuro[3,2-d]pyrimidine chloride Traditional Name: 4-[4-(2-fluorophenyl)piperazin-4-ium-1-yl]-2-methyl-benzofuro[3,2-d]pyrimidine chloride Formula: C21H20ClFN4O MolecularWeight: 398.861103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)N3CC[NH+](CC3)C4=CC=CC=C4F)OC5=CC=CC=C52.[Cl-]

Isomeric SMILES

CC1=NC2=C(C(=N1)N3CC[NH+](CC3)C4=CC=CC=C4F)OC5=CC=CC=C52.[Cl-]

InChI

InChI=1S/C21H19FN4O.ClH/c1-14-23-19-15-6-2-5-9-18(15)27-20(19)21(24-14)26-12-10-25(11-13-26)17-8-4-3-7-16(17)22;/h2-9H,10-13H2,1H3;1H