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

Systemtic Name: (2S,4R)-N-(2-cyanoethyl)-4-oxidanyl-N-phenyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-N-(2-cyanoethyl)-4-hydroxy-N-phenyl-pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-N-(2-cyanoethyl)-4-hydroxy-N-phenyl-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-N-(2-cyanoethyl)-4-hydroxy-N-phenylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-N-(2-cyanoethyl)-4-hydroxy-N-phenyl-pyrrolidin-1-ium-2-carboxamide Formula: C14H18N3O2+ MolecularWeight: 260.31162

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C[NH2+]C1C(=O)N(CCC#N)C2=CC=CC=C2)O

Isomeric SMILES

C1[C@H](C[NH2+][C@@H]1C(=O)N(CCC#N)C2=CC=CC=C2)O

InChI

InChI=1S/C14H17N3O2/c15-7-4-8-17(11-5-2-1-3-6-11)14(19)13-9-12(18)10-16-13/h1-3,5-6,12-13,16,18H,4,8-10H2/p+1/t12-,13+/m1/s1