ethane-1,1,2,2-tetrol; nickel; 1-piperidin-1-id-2-yl-N,N-bis(piperidin-1-id-2-ylmethyl)methanamine

Systemtic Name: ethane-1,1,2,2-tetrol; nickel; 1-piperidin-1-id-2-yl-N,N-bis(piperidin-1-id-2-ylmethyl)methanamine Openeye Name: ethane-1,1,2,2-tetrol; nickel; 1-piperidin-1-id-2-yl-N,N-bis(piperidin-1-id-2-ylmethyl)methanamine CAS Name: ethane-1,1,2,2-tetrol; nickel; 1-(2-piperidin-1-idyl)-N,N-bis(2-piperidin-1-idylmethyl)methanamine IUPAC Name: ethane-1,1,2,2-tetrol; nickel; 1-piperidin-1-id-2-yl-N,N-bis(piperidin-1-id-2-ylmethyl)methanamine Traditional Name: ethane-1,1,2,2-tetrol; nickel; tris(piperidin-1-id-2-ylmethyl)amine Formula: C38H72N8Ni2O4-6 MolecularWeight: 822.41628

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N-]C(C1)CN(CC2CCCC[N-]2)CC3CCCC[N-]3.C1CC[N-]C(C1)CN(CC2CCCC[N-]2)CC3CCCC[N-]3.C(C(O)O)(O)O.[Ni].[Ni]

Isomeric SMILES

C1CC[N-]C(C1)CN(CC2CCCC[N-]2)CC3CCCC[N-]3.C1CC[N-]C(C1)CN(CC2CCCC[N-]2)CC3CCCC[N-]3.C(C(O)O)(O)O.[Ni].[Ni]

InChI

InChI=1S/2C18H33N4.C2H6O4.2Ni/c2*1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18;3-1(4)2(5)6;;/h2*16-18H,1-15H2;1-6H;;/q2*-3;;;