2-phenyl-4-pyrrolidin-1-ium-1-yl-[1]benzofuro[3,2-d]pyrimidine chloride

Systemtic Name: 2-phenyl-4-pyrrolidin-1-ium-1-yl-[1]benzofuro[3,2-d]pyrimidine chloride Openeye Name: 2-phenyl-4-pyrrolidin-1-ium-1-yl-benzofuro[3,2-d]pyrimidine chloride CAS Name: 2-phenyl-4-(1-pyrrolidin-1-iumyl)benzofuro[3,2-d]pyrimidine chloride IUPAC Name: 2-phenyl-4-pyrrolidin-1-ium-1-yl-[1]benzofuro[3,2-d]pyrimidine chloride Traditional Name: 2-phenyl-4-pyrrolidin-1-ium-1-yl-benzofuro[3,2-d]pyrimidine chloride Formula: C20H18ClN3O MolecularWeight: 351.82942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C2=NC(=NC3=C2OC4=CC=CC=C43)C5=CC=CC=C5.[Cl-]

Isomeric SMILES

C1CC[NH+](C1)C2=NC(=NC3=C2OC4=CC=CC=C43)C5=CC=CC=C5.[Cl-]

InChI

InChI=1S/C20H17N3O.ClH/c1-2-8-14(9-3-1)19-21-17-15-10-4-5-11-16(15)24-18(17)20(22-19)23-12-6-7-13-23;/h1-5,8-11H,6-7,12-13H2;1H