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

Systemtic Name: (2S,4R)-N-(3-ethynylphenyl)-4-oxidanyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-N-(3-ethynylphenyl)-4-hydroxy-pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-N-(3-ethynylphenyl)-4-hydroxy-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-N-(3-ethynylphenyl)-4-hydroxypyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-N-(3-ethynylphenyl)-4-hydroxy-pyrrolidin-1-ium-2-carboxamide Formula: C13H15N2O2+ MolecularWeight: 231.2704

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC(=O)C2CC(C[NH2+]2)O

Isomeric SMILES

C#CC1=CC(=CC=C1)NC(=O)[C@@H]2C[C@H](C[NH2+]2)O

InChI

InChI=1S/C13H14N2O2/c1-2-9-4-3-5-10(6-9)15-13(17)12-7-11(16)8-14-12/h1,3-6,11-12,14,16H,7-8H2,(H,15,17)/p+1/t11-,12+/m1/s1