6-(hydroxymethyl)-2-methyl-5-(methylcarbamoyl)-4-(1-oxidanidylpyridin-1-ium-3-yl)-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 6-(hydroxymethyl)-2-methyl-5-(methylcarbamoyl)-4-(1-oxidanidylpyridin-1-ium-3-yl)-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 6-(hydroxymethyl)-2-methyl-5-(methylcarbamoyl)-4-(1-oxidopyridin-1-ium-3-yl)-1,4-dihydropyridine-3-carboxylic acid CAS Name: 6-(hydroxymethyl)-2-methyl-5-(methylcarbamoyl)-4-(1-oxido-3-pyridin-1-iumyl)-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 6-(hydroxymethyl)-2-methyl-5-(methylcarbamoyl)-4-(1-oxidopyridin-1-ium-3-yl)-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 2-methyl-5-(methylcarbamoyl)-6-methylol-4-(1-oxidopyridin-1-ium-3-yl)-1,4-dihydropyridine-3-carboxylic acid Formula: C15H17N3O5 MolecularWeight: 319.31258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)CO)C(=O)NC)C2=C[N+](=CC=C2)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)CO)C(=O)NC)C2=C[N+](=CC=C2)[O-])C(=O)O

InChI

InChI=1S/C15H17N3O5/c1-8-11(15(21)22)12(9-4-3-5-18(23)6-9)13(14(20)16-2)10(7-19)17-8/h3-6,12,17,19H,7H2,1-2H3,(H,16,20)(H,21,22)