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

Systemtic Name: 2-methyl-4-[4-(phenylmethyl)piperidin-1-ium-1-yl]-[1]benzofuro[3,2-d]pyrimidine Openeye Name: 4-(4-benzylpiperidin-1-ium-1-yl)-2-methyl-benzofuro[3,2-d]pyrimidine CAS Name: 2-methyl-4-[4-(phenylmethyl)-1-piperidin-1-iumyl]benzofuro[3,2-d]pyrimidine IUPAC Name: 4-(4-benzylpiperidin-1-ium-1-yl)-2-methyl-[1]benzofuro[3,2-d]pyrimidine Traditional Name: 4-(4-benzylpiperidin-1-ium-1-yl)-2-methyl-benzofuro[3,2-d]pyrimidine Formula: C23H24N3O+ MolecularWeight: 358.45616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)[NH+]3CCC(CC3)CC4=CC=CC=C4)OC5=CC=CC=C52

Isomeric SMILES

CC1=NC2=C(C(=N1)[NH+]3CCC(CC3)CC4=CC=CC=C4)OC5=CC=CC=C52

InChI

InChI=1S/C23H23N3O/c1-16-24-21-19-9-5-6-10-20(19)27-22(21)23(25-16)26-13-11-18(12-14-26)15-17-7-3-2-4-8-17/h2-10,18H,11-15H2,1H3/p+1