2-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Formula: C14H20N3OS+ MolecularWeight: 278.3931

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC2=NC(=O)C3=C(N2)C=CS3)C

Isomeric SMILES

C[C@H]1C[C@@H](C[NH+](C1)CC2=NC(=O)C3=C(N2)C=CS3)C

InChI

InChI=1S/C14H19N3OS/c1-9-5-10(2)7-17(6-9)8-12-15-11-3-4-19-13(11)14(18)16-12/h3-4,9-10H,5-8H2,1-2H3,(H,15,16,18)/p+1/t9-,10-/m0/s1