(2S,4R)-4-oxidanyl-N-(2-thiophen-2-ylethyl)pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S,4R)-4-oxidanyl-N-(2-thiophen-2-ylethyl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-4-hydroxy-N-[2-(2-thienyl)ethyl]pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-4-hydroxy-N-(2-thiophen-2-ylethyl)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-4-hydroxy-N-(2-thiophen-2-ylethyl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-4-hydroxy-N-[2-(2-thienyl)ethyl]pyrrolidin-1-ium-2-carboxamide Formula: C11H17N2O2S+ MolecularWeight: 241.32988

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C[NH2+]C1C(=O)NCCC2=CC=CS2)O

Isomeric SMILES

C1[C@H](C[NH2+][C@@H]1C(=O)NCCC2=CC=CS2)O

InChI

InChI=1S/C11H16N2O2S/c14-8-6-10(13-7-8)11(15)12-4-3-9-2-1-5-16-9/h1-2,5,8,10,13-14H,3-4,6-7H2,(H,12,15)/p+1/t8-,10+/m1/s1