2-methyl-4-(1-oxidanidylpyridin-1-ium-3-yl)-6-[4-(2-oxidanylideneimidazolidin-1-yl)piperidin-1-yl]-1,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 2-methyl-4-(1-oxidanidylpyridin-1-ium-3-yl)-6-[4-(2-oxidanylideneimidazolidin-1-yl)piperidin-1-yl]-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 2-methyl-4-(1-oxidopyridin-1-ium-3-yl)-6-[4-(2-oxoimidazolidin-1-yl)-1-piperidyl]-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 2-methyl-4-(1-oxido-3-pyridin-1-iumyl)-6-[4-(2-oxo-1-imidazolidinyl)-1-piperidinyl]-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 2-methyl-4-(1-oxidopyridin-1-ium-3-yl)-6-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 2-[4-(2-ketoimidazolidin-1-yl)piperidino]-6-methyl-4-(1-oxidopyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C21H25N5O6 MolecularWeight: 443.4531

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)N2CCC(CC2)N3CCNC3=O)C(=O)O)C4=C[N+](=CC=C4)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)N2CCC(CC2)N3CCNC3=O)C(=O)O)C4=C[N+](=CC=C4)[O-])C(=O)O

InChI

InChI=1S/C21H25N5O6/c1-12-15(19(27)28)16(13-3-2-7-25(32)11-13)17(20(29)30)18(23-12)24-8-4-14(5-9-24)26-10-6-22-21(26)31/h2-3,7,11,14,16,23H,4-6,8-10H2,1H3,(H,22,31)(H,27,28)(H,29,30)