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

Systemtic Name: 2-ethyl-4-(4-phenylpiperazin-4-ium-1-yl)-[1]benzofuro[3,2-d]pyrimidine chloride Openeye Name: 2-ethyl-4-(4-phenylpiperazin-4-ium-1-yl)benzofuro[3,2-d]pyrimidine chloride CAS Name: 2-ethyl-4-(4-phenyl-1-piperazin-4-iumyl)benzofuro[3,2-d]pyrimidine chloride IUPAC Name: 2-ethyl-4-(4-phenylpiperazin-4-ium-1-yl)-[1]benzofuro[3,2-d]pyrimidine chloride Traditional Name: 2-ethyl-4-(4-phenylpiperazin-4-ium-1-yl)benzofuro[3,2-d]pyrimidine chloride Formula: C22H23ClN4O MolecularWeight: 394.89722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O.ClH/c1-2-19-23-20-17-10-6-7-11-18(17)27-21(20)22(24-19)26-14-12-25(13-15-26)16-8-4-3-5-9-16;/h3-11H,2,12-15H2,1H3;1H