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

Systemtic Name: 2-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-1H-thieno[3,2-d]pyrimidin-4-one Formula: C18H21N4OS+ MolecularWeight: 341.45054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=O)C3=C(N2)C=CS3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=O)C3=C(N2)C=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C18H20N4OS/c23-18-17-15(6-11-24-17)19-16(20-18)13-22-9-7-21(8-10-22)12-14-4-2-1-3-5-14/h1-6,11H,7-10,12-13H2,(H,19,20,23)/p+1