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

Systemtic Name: 2-[[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[[4-(1,3-benzoxazol-2-yl)-1-piperidin-1-iumyl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Formula: C19H19N4O2S+ MolecularWeight: 367.44476

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3O2)CC4=NC(=O)C5=C(N4)C=CS5

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3O2)CC4=NC(=O)C5=C(N4)C=CS5

InChI

InChI=1S/C19H18N4O2S/c24-18-17-14(7-10-26-17)20-16(22-18)11-23-8-5-12(6-9-23)19-21-13-3-1-2-4-15(13)25-19/h1-4,7,10,12H,5-6,8-9,11H2,(H,20,22,24)/p+1