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

Systemtic Name: 2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Formula: C18H21N4O2S+ MolecularWeight: 357.44994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=NC(=O)C4=C(N3)C=CS4

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=NC(=O)C4=C(N3)C=CS4

InChI

InChI=1S/C18H20N4O2S/c1-24-14-4-2-13(3-5-14)22-9-7-21(8-10-22)12-16-19-15-6-11-25-17(15)18(23)20-16/h2-6,11H,7-10,12H2,1H3,(H,19,20,23)/p+1