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

Systemtic Name: 2-[[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[[4-(1H-indol-3-yl)-1-piperidin-1-iumyl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Formula: C20H21N4OS+ MolecularWeight: 365.47194

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=CNC3=CC=CC=C32)CC4=NC(=O)C5=C(N4)C=CS5

Isomeric SMILES

C1C[NH+](CCC1C2=CNC3=CC=CC=C32)CC4=NC(=O)C5=C(N4)C=CS5

InChI

InChI=1S/C20H20N4OS/c25-20-19-17(7-10-26-19)22-18(23-20)12-24-8-5-13(6-9-24)15-11-21-16-4-2-1-3-14(15)16/h1-4,7,10-11,13,21H,5-6,8-9,12H2,(H,22,23,25)/p+1