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

Systemtic Name: 2-(piperidin-1-ium-1-ylmethyl)-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-(piperidin-1-ium-1-ylmethyl)-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-(1-piperidin-1-iumylmethyl)-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-(piperidin-1-ium-1-ylmethyl)-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-(piperidin-1-ium-1-ylmethyl)-1H-thieno[3,2-d]pyrimidin-4-one Formula: C12H16N3OS+ MolecularWeight: 250.33994

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=NC(=O)C3=C(N2)C=CS3

Isomeric SMILES

C1CC[NH+](CC1)CC2=NC(=O)C3=C(N2)C=CS3

InChI

InChI=1S/C12H15N3OS/c16-12-11-9(4-7-17-11)13-10(14-12)8-15-5-2-1-3-6-15/h4,7H,1-3,5-6,8H2,(H,13,14,16)/p+1