copper; dioxidanium; 2-methylsulfanylpiperidine-3-carboxylic acid; 2-methylsulfanylpyridine-3-carboxylic acid; piperidin-1-ide; 2H-pyridin-1-ide

Systemtic Name: copper; dioxidanium; 2-methylsulfanylpiperidine-3-carboxylic acid; 2-methylsulfanylpyridine-3-carboxylic acid; piperidin-1-ide; 2H-pyridin-1-ide Openeye Name: copper; dioxonium; 2-methylsulfanylpiperidine-3-carboxylic acid; 2-methylsulfanylpyridine-3-carboxylic acid; piperidin-1-ide; 2H-pyridin-1-ide CAS Name: copper; dioxonium; 2-(methylthio)-3-piperidinecarboxylic acid; 2-(methylthio)-3-pyridinecarboxylic acid; piperidin-1-ide; 2H-pyridin-1-ide IUPAC Name: copper; dioxidanium; 2-methylsulfanylpiperidine-3-carboxylic acid; 2-methylsulfanylpyridine-3-carboxylic acid; piperidin-1-ide; 2H-pyridin-1-ide Traditional Name: cupric; dioxonium; 2-(methylthio)nicotinic acid; 2-(methylthio)nipecotic acid; piperidin-1-ide; 2H-pyridin-1-ide Formula: C24H42CuN4O6S2+2 MolecularWeight: 610.28948

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Descriptors Computed from Structure

Canonical SMILES:

CSC1C(CCCN1)C(=O)O.CSC1=C(C=CC=N1)C(=O)O.C1CC[N-]CC1.C1C=CC=C[N-]1.[OH3+].[OH3+].[Cu+2]

Isomeric SMILES

CSC1C(CCCN1)C(=O)O.CSC1=C(C=CC=N1)C(=O)O.C1CC[N-]CC1.C1C=CC=C[N-]1.[OH3+].[OH3+].[Cu+2]

InChI

InChI=1S/C7H13NO2S.C7H7NO2S.C5H10N.C5H6N.Cu.2H2O/c2*1-11-6-5(7(9)10)3-2-4-8-6;2*1-2-4-6-5-3-1;;;/h5-6,8H,2-4H2,1H3,(H,9,10);2-4H,1H3,(H,9,10);1-5H2;1-4H,5H2;;2*1H2/q;;2*-1;+2;;/p+2