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

Systemtic Name: 1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-4,5-dimethyl-pyridin-1-ium-3-carboxamide Openeye Name: 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4,5-dimethyl-pyridin-1-ium-3-carboxamide CAS Name: 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-4,5-dimethyl-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,5-dimethylpyridin-1-ium-3-carboxamide Traditional Name: 1-[(2R,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-4,5-dimethyl-pyridin-1-ium-3-carboxamide Formula: C13H19N2O4+ MolecularWeight: 267.30096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C[N+](=C1)C2CC(C(O2)CO)O)C(=O)N)C

Isomeric SMILES

CC1=C(C(=C[N+](=C1)[C@H]2C[C@@H]([C@H](O2)CO)O)C(=O)N)C

InChI

InChI=1S/C13H18N2O4/c1-7-4-15(5-9(8(7)2)13(14)18)12-3-10(17)11(6-16)19-12/h4-5,10-12,16-17H,3,6H2,1-2H3,(H-,14,18)/p+1/t10-,11+,12+/m0/s1