1-cyclohexylbutane-1,3-diol; nickel(2+); piperidin-1-id-3-amine; 2H-pyridin-1-id-3-amine

Systemtic Name: 1-cyclohexylbutane-1,3-diol; nickel(2+); piperidin-1-id-3-amine; 2H-pyridin-1-id-3-amine Openeye Name: nickelous; 1-cyclohexylbutane-1,3-diol; piperidin-1-id-3-amine; 2H-pyridin-1-id-3-amine CAS Name: 1-cyclohexylbutane-1,3-diol; nickel(2+); 3-piperidin-1-idamine; 2H-pyridin-1-id-3-amine IUPAC Name: 1-cyclohexylbutane-1,3-diol; nickel(2+); piperidin-1-id-3-amine; 2H-pyridin-1-id-3-amine Traditional Name: nickelous; 1-cyclohexylbutane-1,3-diol; piperidin-1-id-3-ylamine; 2H-pyridin-1-id-3-ylamine Formula: C30H58N4NiO4 MolecularWeight: 597.49932

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C1CCCCC1)O)O.CC(CC(C1CCCCC1)O)O.C1CC(C[N-]C1)N.C1C(=CC=C[N-]1)N.[Ni+2]

Isomeric SMILES

CC(CC(C1CCCCC1)O)O.CC(CC(C1CCCCC1)O)O.C1CC(C[N-]C1)N.C1C(=CC=C[N-]1)N.[Ni+2]

InChI

InChI=1S/2C10H20O2.C5H11N2.C5H7N2.Ni/c2*1-8(11)7-10(12)9-5-3-2-4-6-9;2*6-5-2-1-3-7-4-5;/h2*8-12H,2-7H2,1H3;5H,1-4,6H2;1-3H,4,6H2;/q;;2*-1;+2