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

Systemtic Name: 2-ethyl-4-(3-methylpiperidin-1-ium-1-yl)-[1]benzofuro[3,2-d]pyrimidine chloride Openeye Name: 2-ethyl-4-(3-methylpiperidin-1-ium-1-yl)benzofuro[3,2-d]pyrimidine chloride CAS Name: 2-ethyl-4-(3-methyl-1-piperidin-1-iumyl)benzofuro[3,2-d]pyrimidine chloride IUPAC Name: 2-ethyl-4-(3-methylpiperidin-1-ium-1-yl)-[1]benzofuro[3,2-d]pyrimidine chloride Traditional Name: 2-ethyl-4-(3-methylpiperidin-1-ium-1-yl)benzofuro[3,2-d]pyrimidine chloride Formula: C18H22ClN3O MolecularWeight: 331.83978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C(=N1)[NH+]3CCCC(C3)C)OC4=CC=CC=C42.[Cl-]

Isomeric SMILES

CCC1=NC2=C(C(=N1)[NH+]3CCCC(C3)C)OC4=CC=CC=C42.[Cl-]

InChI

InChI=1S/C18H21N3O.ClH/c1-3-15-19-16-13-8-4-5-9-14(13)22-17(16)18(20-15)21-10-6-7-12(2)11-21;/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3;1H