(2S,4R)-N-(2-cyanoethyl)-4-oxidanyl-N-(pyridin-3-ylmethyl)pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S,4R)-N-(2-cyanoethyl)-4-oxidanyl-N-(pyridin-3-ylmethyl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-N-(2-cyanoethyl)-4-hydroxy-N-(3-pyridylmethyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-N-(2-cyanoethyl)-4-hydroxy-N-(3-pyridinylmethyl)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-N-(2-cyanoethyl)-4-hydroxy-N-(pyridin-3-ylmethyl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-N-(2-cyanoethyl)-4-hydroxy-N-(3-pyridylmethyl)pyrrolidin-1-ium-2-carboxamide Formula: C14H19N4O2+ MolecularWeight: 275.32626

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C[NH2+]C1C(=O)N(CCC#N)CC2=CN=CC=C2)O

Isomeric SMILES

C1[C@H](C[NH2+][C@@H]1C(=O)N(CCC#N)CC2=CN=CC=C2)O

InChI

InChI=1S/C14H18N4O2/c15-4-2-6-18(10-11-3-1-5-16-8-11)14(20)13-7-12(19)9-17-13/h1,3,5,8,12-13,17,19H,2,6-7,9-10H2/p+1/t12-,13+/m1/s1