2-azanyl-6-methyl-4-(1-oxidanidylpyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 2-azanyl-6-methyl-4-(1-oxidanidylpyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 2-amino-6-methyl-4-(1-oxidopyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 2-amino-6-methyl-4-(1-oxido-3-pyridin-1-iumyl)-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 2-amino-6-methyl-4-(1-oxidopyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 2-amino-6-methyl-4-(1-oxidopyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C13H13N3O5 MolecularWeight: 291.25942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O5/c1-6-8(12(17)18)9(7-3-2-4-16(21)5-7)10(13(19)20)11(14)15-6/h2-5,9,15H,14H2,1H3,(H,17,18)(H,19,20)