1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyridin-1-ium-3-carboxamide CAS Name: 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[(2R,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]pyridin-1-ium-3-carboxamide Formula: C11H15N2O4+ MolecularWeight: 239.2478

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1[N+]2=CC=CC(=C2)C(=O)N)CO)O

Isomeric SMILES

C1[C@@H]([C@H](O[C@H]1[N+]2=CC=CC(=C2)C(=O)N)CO)O

InChI

InChI=1S/C11H14N2O4/c12-11(16)7-2-1-3-13(5-7)10-4-8(15)9(6-14)17-10/h1-3,5,8-10,14-15H,4,6H2,(H-,12,16)/p+1/t8-,9+,10+/m0/s1