pentacopper; azanide; 4-piperidin-1-id-4-ylpiperidin-1-ide; 4-piperidin-1-id-4-ylpyridine; 4-piperidin-1-id-4-yl-2H-pyridin-1-ide; tetrahydrate

Systemtic Name: pentacopper; azanide; 4-piperidin-1-id-4-ylpiperidin-1-ide; 4-piperidin-1-id-4-ylpyridine; 4-piperidin-1-id-4-yl-2H-pyridin-1-ide; tetrahydrate Openeye Name: pentacopper; azanide; 4-piperidin-1-id-4-ylpiperidin-1-ide; 4-piperidin-1-id-4-ylpyridine; 4-piperidin-1-id-4-yl-2H-pyridin-1-ide; tetrahydrate CAS Name: pentacopper; azanide; 4-(4-piperidin-1-idyl)piperidin-1-ide; 4-(4-piperidin-1-idyl)pyridine; 4-(4-piperidin-1-idyl)-2H-pyridin-1-ide; tetrahydrate IUPAC Name: pentacopper; azanide; 4-piperidin-1-id-4-ylpiperidin-1-ide; 4-piperidin-1-id-4-ylpyridine; 4-piperidin-1-id-4-yl-2H-pyridin-1-ide; tetrahydrate Traditional Name: pentacupric; azanide; 4-piperidin-1-id-4-ylpiperidin-1-ide; 4-piperidin-1-id-4-ylpyridine; 4-piperidin-1-id-4-yl-2H-pyridin-1-ide; tetrahydrate Formula: C50H93Cu5N12O4- MolecularWeight: 1244.08142

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N-]CCC1C2CC[N-]CC2.C1C[N-]CCC1C2CC[N-]CC2.C1C[N-]CCC1C2CC[N-]CC2.C1C[N-]CCC1C2=CC[N-]C=C2.C1C[N-]CCC1C2=CC=NC=C2.[NH2-].[NH2-].O.O.O.O.[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2]

Isomeric SMILES

C1C[N-]CCC1C2CC[N-]CC2.C1C[N-]CCC1C2CC[N-]CC2.C1C[N-]CCC1C2CC[N-]CC2.C1C[N-]CCC1C2=CC[N-]C=C2.C1C[N-]CCC1C2=CC=NC=C2.[NH2-].[NH2-].O.O.O.O.[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2]

InChI

InChI=1S/3C10H18N2.C10H14N2.C10H13N2.5Cu.2H2N.4H2O/c5*1-5-11-6-2-9(1)10-3-7-12-8-4-10;;;;;;;;;;;/h3*9-10H,1-8H2;1-2,5,10H,3-4,6-8H2;1-2,5-6,10H,3-4,7-8H2;;;;;;6*1H2/q4*-2;-1;5*+2;2*-1;;;;