(2S,4R)-N-(6-chloranyl-1,3-benzothiazol-2-yl)-4-oxidanyl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S,4R)-N-(6-chloranyl-1,3-benzothiazol-2-yl)-4-oxidanyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-N-(6-chloro-1,3-benzothiazol-2-yl)-4-hydroxy-pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-N-(6-chloro-1,3-benzothiazol-2-yl)-4-hydroxy-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-N-(6-chloro-1,3-benzothiazol-2-yl)-4-hydroxypyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-N-(6-chloro-1,3-benzothiazol-2-yl)-4-hydroxy-pyrrolidin-1-ium-2-carboxamide Formula: C12H13ClN3O2S+ MolecularWeight: 298.76852

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C[NH2+]C1C(=O)NC2=NC3=C(S2)C=C(C=C3)Cl)O

Isomeric SMILES

C1[C@H](C[NH2+][C@@H]1C(=O)NC2=NC3=C(S2)C=C(C=C3)Cl)O

InChI

InChI=1S/C12H12ClN3O2S/c13-6-1-2-8-10(3-6)19-12(15-8)16-11(18)9-4-7(17)5-14-9/h1-3,7,9,14,17H,4-5H2,(H,15,16,18)/p+1/t7-,9+/m1/s1