2-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C23H24N3OS2+ MolecularWeight: 422.58616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=NC4=C(C(=CS4)C5=CC=CS5)C(=O)N3

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=NC4=C(C(=CS4)C5=CC=CS5)C(=O)N3

InChI

InChI=1S/C23H23N3OS2/c27-22-21-18(19-7-4-12-28-19)15-29-23(21)25-20(24-22)14-26-10-8-17(9-11-26)13-16-5-2-1-3-6-16/h1-7,12,15,17H,8-11,13-14H2,(H,24,25,27)/p+1