[2,3,5,6-tetrakis(oxidanyl)-4-pyridin-1-ium-3-ylcarbonyloxy-cyclohexyl] pyridine-3-carboxylate

Systemtic Name: [2,3,5,6-tetrakis(oxidanyl)-4-pyridin-1-ium-3-ylcarbonyloxy-cyclohexyl] pyridine-3-carboxylate Openeye Name: [2,3,5,6-tetrahydroxy-4-(pyridin-1-ium-3-carbonyloxy)cyclohexyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2,3,5,6-tetrahydroxy-4-[oxo(3-pyridin-1-iumyl)methoxy]cyclohexyl] ester IUPAC Name: [2,3,5,6-tetrahydroxy-4-(pyridin-1-ium-3-carbonyloxy)cyclohexyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2,3,5,6-tetrahydroxy-4-(pyridin-1-ium-3-carbonyloxy)cyclohexyl] ester Formula: C18H19N2O8+ MolecularWeight: 391.35206

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[NH+]=C1)C(=O)OC2C(C(C(C(C2O)O)OC(=O)C3=CN=CC=C3)O)O

Isomeric SMILES

C1=CC(=C[NH+]=C1)C(=O)OC2C(C(C(C(C2O)O)OC(=O)C3=CN=CC=C3)O)O

InChI

InChI=1S/C18H18N2O8/c21-11-13(23)16(28-18(26)10-4-2-6-20-8-10)14(24)12(22)15(11)27-17(25)9-3-1-5-19-7-9/h1-8,11-16,21-24H/p+1