tetracopper; carbonic acid; copper; 3,6-dihydro-2H-pyridin-1-id-4-amine; piperidin-1-id-4-amine; hydrate

Systemtic Name: tetracopper; carbonic acid; copper; 3,6-dihydro-2H-pyridin-1-id-4-amine; piperidin-1-id-4-amine; hydrate Openeye Name: tetracopper; carbonic acid; copper; 3,6-dihydro-2H-pyridin-1-id-4-amine; piperidin-1-id-4-amine; hydrate CAS Name: tetracopper; carbonic acid; copper; 3,6-dihydro-2H-pyridin-1-id-4-amine; 4-piperidin-1-idamine; hydrate IUPAC Name: tetracopper; carbonic acid; copper; 3,6-dihydro-2H-pyridin-1-id-4-amine; piperidin-1-id-4-amine; hydrate Traditional Name: tetracupric; carbonic acid; copper; 3,6-dihydro-2H-pyridin-1-id-4-ylamine; piperidin-1-id-4-ylamine; hydrate Formula: C44H96Cu5N16O13 MolecularWeight: 1375.06244

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N-]CCC1N.C1C[N-]CCC1N.C1C[N-]CCC1N.C1C[N-]CCC1N.C1C[N-]CCC1N.C1C[N-]CCC1N.C1C[N-]CCC1N.C1C[N-]CC=C1N.C(=O)(O)O.C(=O)(O)O.C(=O)(O)O.C(=O)(O)O.O.[Cu].[Cu+2].[Cu+2].[Cu+2].[Cu+2]

Isomeric SMILES

C1C[N-]CCC1N.C1C[N-]CCC1N.C1C[N-]CCC1N.C1C[N-]CCC1N.C1C[N-]CCC1N.C1C[N-]CCC1N.C1C[N-]CCC1N.C1C[N-]CC=C1N.C(=O)(O)O.C(=O)(O)O.C(=O)(O)O.C(=O)(O)O.O.[Cu].[Cu+2].[Cu+2].[Cu+2].[Cu+2]

InChI

InChI=1S/7C5H11N2.C5H9N2.4CH2O3.5Cu.H2O/c8*6-5-1-3-7-4-2-5;4*2-1(3)4;;;;;;/h7*5H,1-4,6H2;1H,2-4,6H2;4*(H2,2,3,4);;;;;;1H2/q8*-1;;;;;;4*+2;