2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C23H22ClN4OS+ MolecularWeight: 437.96498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C23H21ClN4OS/c24-17-7-4-8-18(13-17)28-11-9-27(10-12-28)14-20-25-22(29)21-19(15-30-23(21)26-20)16-5-2-1-3-6-16/h1-8,13,15H,9-12,14H2,(H,25,26,29)/p+1