(2S,4R)-N-(1,3-benzothiazol-2-yl)-4-oxidanyl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S,4R)-N-(1,3-benzothiazol-2-yl)-4-oxidanyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-N-(1,3-benzothiazol-2-yl)-4-hydroxy-pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-N-(1,3-benzothiazol-2-yl)-4-hydroxy-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-N-(1,3-benzothiazol-2-yl)-4-hydroxypyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-N-(1,3-benzothiazol-2-yl)-4-hydroxy-pyrrolidin-1-ium-2-carboxamide Formula: C12H14N3O2S+ MolecularWeight: 264.32346

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C[NH2+]C1C(=O)NC2=NC3=CC=CC=C3S2)O

Isomeric SMILES

C1[C@H](C[NH2+][C@@H]1C(=O)NC2=NC3=CC=CC=C3S2)O

InChI

InChI=1S/C12H13N3O2S/c16-7-5-9(13-6-7)11(17)15-12-14-8-3-1-2-4-10(8)18-12/h1-4,7,9,13,16H,5-6H2,(H,14,15,17)/p+1/t7-,9+/m1/s1