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

Systemtic Name: 2-ethyl-4-[4-(3-methylphenyl)piperazin-4-ium-1-yl]-[1]benzofuro[3,2-d]pyrimidine chloride Openeye Name: 2-ethyl-4-[4-(m-tolyl)piperazin-4-ium-1-yl]benzofuro[3,2-d]pyrimidine chloride CAS Name: 2-ethyl-4-[4-(3-methylphenyl)-1-piperazin-4-iumyl]benzofuro[3,2-d]pyrimidine chloride IUPAC Name: 2-ethyl-4-[4-(3-methylphenyl)piperazin-4-ium-1-yl]-[1]benzofuro[3,2-d]pyrimidine chloride Traditional Name: 2-ethyl-4-[4-(m-tolyl)piperazin-4-ium-1-yl]benzofuro[3,2-d]pyrimidine chloride Formula: C23H25ClN4O MolecularWeight: 408.9238

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C(=N1)N3CC[NH+](CC3)C4=CC=CC(=C4)C)OC5=CC=CC=C52.[Cl-]

Isomeric SMILES

CCC1=NC2=C(C(=N1)N3CC[NH+](CC3)C4=CC=CC(=C4)C)OC5=CC=CC=C52.[Cl-]

InChI

InChI=1S/C23H24N4O.ClH/c1-3-20-24-21-18-9-4-5-10-19(18)28-22(21)23(25-20)27-13-11-26(12-14-27)17-8-6-7-16(2)15-17;/h4-10,15H,3,11-14H2,1-2H3;1H