(3S)-1-[2-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)ethyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[2-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[2-(4-oxo-3-thieno[2,3-d]pyrimidinyl)ethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[2-(4-ketothieno[2,3-d]pyrimidin-3-yl)ethyl]piperidin-1-ium-3-carboxamide Formula: C14H19N4O2S+ MolecularWeight: 307.39126

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCN2C=NC3=C(C2=O)C=CS3)C(=O)N

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCN2C=NC3=C(C2=O)C=CS3)C(=O)N

InChI

InChI=1S/C14H18N4O2S/c15-12(19)10-2-1-4-17(8-10)5-6-18-9-16-13-11(14(18)20)3-7-21-13/h3,7,9-10H,1-2,4-6,8H2,(H2,15,19)/p+1/t10-/m0/s1