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

Systemtic Name: 2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Formula: C13H18N3OS+ MolecularWeight: 264.36652

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=NC(=O)C3=C(N2)C=CS3

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3OS/c1-9-3-2-5-16(7-9)8-11-14-10-4-6-18-12(10)13(17)15-11/h4,6,9H,2-3,5,7-8H2,1H3,(H,14,15,17)/p+1/t9-/m0/s1