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

Systemtic Name: 1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-4-methyl-pyridin-1-ium-3-carboxamide Openeye Name: 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-methyl-pyridin-1-ium-3-carboxamide CAS Name: 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-4-methyl-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-methylpyridin-1-ium-3-carboxamide Traditional Name: 1-[(2R,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-4-methyl-pyridin-1-ium-3-carboxamide Formula: C12H17N2O4+ MolecularWeight: 253.27438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O4/c1-7-2-3-14(5-8(7)12(13)17)11-4-9(16)10(6-15)18-11/h2-3,5,9-11,15-16H,4,6H2,1H3,(H-,13,17)/p+1/t9-,10+,11+/m0/s1