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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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