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

Systemtic Name: 4-(azepan-1-ium-1-yl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine chloride Openeye Name: 4-(azepan-1-ium-1-yl)-2-phenyl-benzofuro[3,2-d]pyrimidine chloride CAS Name: 4-(1-azepan-1-iumyl)-2-phenylbenzofuro[3,2-d]pyrimidine chloride IUPAC Name: 4-(azepan-1-ium-1-yl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine chloride Traditional Name: 4-(azepan-1-ium-1-yl)-2-phenyl-benzofuro[3,2-d]pyrimidine chloride Formula: C22H22ClN3O MolecularWeight: 379.88258

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C2=NC(=NC3=C2OC4=CC=CC=C43)C5=CC=CC=C5.[Cl-]

Isomeric SMILES

C1CCC[NH+](CC1)C2=NC(=NC3=C2OC4=CC=CC=C43)C5=CC=CC=C5.[Cl-]

InChI

InChI=1S/C22H21N3O.ClH/c1-2-9-15-25(14-8-1)22-20-19(17-12-6-7-13-18(17)26-20)23-21(24-22)16-10-4-3-5-11-16;/h3-7,10-13H,1-2,8-9,14-15H2;1H