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

Systemtic Name: 2-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[[4-(2-chlorophenyl)-1-piperazin-1-iumyl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Formula: C17H18ClN4OS+ MolecularWeight: 361.86902

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=O)C3=C(N2)C=CS3)C4=CC=CC=C4Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=O)C3=C(N2)C=CS3)C4=CC=CC=C4Cl

InChI

InChI=1S/C17H17ClN4OS/c18-12-3-1-2-4-14(12)22-8-6-21(7-9-22)11-15-19-13-5-10-24-16(13)17(23)20-15/h1-5,10H,6-9,11H2,(H,19,20,23)/p+1