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

Systemtic Name: 4-(azepan-1-ium-1-yl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine Openeye Name: 4-(azepan-1-ium-1-yl)-2-phenyl-benzofuro[3,2-d]pyrimidine CAS Name: 4-(1-azepan-1-iumyl)-2-phenylbenzofuro[3,2-d]pyrimidine IUPAC Name: 4-(azepan-1-ium-1-yl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine Traditional Name: 4-(azepan-1-ium-1-yl)-2-phenyl-benzofuro[3,2-d]pyrimidine Formula: C22H22N3O+ MolecularWeight: 344.42958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O/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/p+1