2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-6-methyl-4-(1-oxidanidylpyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-6-methyl-4-(1-oxidanidylpyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 2-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-4-(1-oxidopyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 2-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-6-methyl-4-(1-oxido-3-pyridin-1-iumyl)-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 2-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-4-(1-oxidopyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 2-[4-(2-furoyl)piperazino]-6-methyl-4-(1-oxidopyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C22H22N4O7 MolecularWeight: 454.43268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)N2CCN(CC2)C(=O)C3=CC=CO3)C(=O)O)C4=C[N+](=CC=C4)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)N2CCN(CC2)C(=O)C3=CC=CO3)C(=O)O)C4=C[N+](=CC=C4)[O-])C(=O)O

InChI

InChI=1S/C22H22N4O7/c1-13-16(21(28)29)17(14-4-2-6-26(32)12-14)18(22(30)31)19(23-13)24-7-9-25(10-8-24)20(27)15-5-3-11-33-15/h2-6,11-12,17,23H,7-10H2,1H3,(H,28,29)(H,30,31)