dioxidanium; 5-carboxythiophene-2-carboxylate; copper(1+); 6-piperidin-1-id-2-yl-2H-pyridin-1-ide

Systemtic Name: dioxidanium; 5-carboxythiophene-2-carboxylate; copper(1+); 6-piperidin-1-id-2-yl-2H-pyridin-1-ide Openeye Name: cuprous; dioxonium; 5-carboxythiophene-2-carboxylate; 6-piperidin-1-id-2-yl-2H-pyridin-1-ide CAS Name: dioxonium; 5-carboxy-2-thiophenecarboxylate; copper(1+); 6-(2-piperidin-1-idyl)-2H-pyridin-1-ide IUPAC Name: dioxidanium; 5-carboxythiophene-2-carboxylate; copper(1+); 6-piperidin-1-id-2-yl-2H-pyridin-1-ide Traditional Name: cuprous; dioxonium; 5-carboxy-2-thenoate; 6-piperidin-1-id-2-yl-2H-pyridin-1-ide Formula: C16H23CuN2O6S MolecularWeight: 434.97462

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N-]C(C1)C2=CC=CC[N-]2.C1=C(SC(=C1)C(=O)[O-])C(=O)O.[OH3+].[OH3+].[Cu+]

Isomeric SMILES

C1CC[N-]C(C1)C2=CC=CC[N-]2.C1=C(SC(=C1)C(=O)[O-])C(=O)O.[OH3+].[OH3+].[Cu+]

InChI

InChI=1S/C10H14N2.C6H4O4S.Cu.2H2O/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;7-5(8)3-1-2-4(11-3)6(9)10;;;/h1,3,5,10H,2,4,6-8H2;1-2H,(H,7,8)(H,9,10);;2*1H2/q-2;;+1;;/p+1