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

Systemtic Name: (2R,4S)-N-(4-methylsulfanylphenyl)-4-oxidanyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2R,4S)-4-hydroxy-N-(4-methylsulfanylphenyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2R,4S)-4-hydroxy-N-[4-(methylthio)phenyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2R,4S)-4-hydroxy-N-(4-methylsulfanylphenyl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2R,4S)-4-hydroxy-N-[4-(methylthio)phenyl]pyrrolidin-1-ium-2-carboxamide Formula: C12H17N2O2S+ MolecularWeight: 253.34058

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)C2CC(C[NH2+]2)O

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)[C@H]2C[C@@H](C[NH2+]2)O

InChI

InChI=1S/C12H16N2O2S/c1-17-10-4-2-8(3-5-10)14-12(16)11-6-9(15)7-13-11/h2-5,9,11,13,15H,6-7H2,1H3,(H,14,16)/p+1/t9-,11+/m0/s1