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

Systemtic Name: 2-methyl-4-(3-methylpiperidin-1-ium-1-yl)-[1]benzofuro[3,2-d]pyrimidine chloride Openeye Name: 2-methyl-4-(3-methylpiperidin-1-ium-1-yl)benzofuro[3,2-d]pyrimidine chloride CAS Name: 2-methyl-4-(3-methyl-1-piperidin-1-iumyl)benzofuro[3,2-d]pyrimidine chloride IUPAC Name: 2-methyl-4-(3-methylpiperidin-1-ium-1-yl)-[1]benzofuro[3,2-d]pyrimidine chloride Traditional Name: 2-methyl-4-(3-methylpiperidin-1-ium-1-yl)benzofuro[3,2-d]pyrimidine chloride Formula: C17H20ClN3O MolecularWeight: 317.8132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)C2=NC(=NC3=C2OC4=CC=CC=C43)C.[Cl-]

Isomeric SMILES

CC1CCC[NH+](C1)C2=NC(=NC3=C2OC4=CC=CC=C43)C.[Cl-]

InChI

InChI=1S/C17H19N3O.ClH/c1-11-6-5-9-20(10-11)17-16-15(18-12(2)19-17)13-7-3-4-8-14(13)21-16;/h3-4,7-8,11H,5-6,9-10H2,1-2H3;1H