nickel(2+); 1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine; tetraphenylboranuide; ethanoate; hydrate

Systemtic Name: nickel(2+); 1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine; tetraphenylboranuide; ethanoate; hydrate Openeye Name: nickelous; 1-(2-pyridyl)-N,N-bis(2-pyridylmethyl)methanamine; tetraphenylboranuide; acetate; hydrate CAS Name: nickel(2+); 1-(2-pyridinyl)-N,N-bis(2-pyridinylmethyl)methanamine; tetraphenylboranuide; acetate; hydrate IUPAC Name: nickel(2+); 1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine; tetraphenylboranuide; acetate; hydrate Traditional Name: nickelous; tetraphenylboranuide; tris(2-pyridylmethyl)amine; acetate; hydrate Formula: C44H43BN4NiO3 MolecularWeight: 745.34162

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Descriptors Computed from Structure

Canonical SMILES:

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CC(=O)[O-].C1=CC=NC(=C1)CN(CC2=CC=CC=N2)CC3=CC=CC=N3.O.[Ni+2]

Isomeric SMILES

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CC(=O)[O-].C1=CC=NC(=C1)CN(CC2=CC=CC=N2)CC3=CC=CC=N3.O.[Ni+2]

InChI

InChI=1S/C24H20B.C18H18N4.C2H4O2.Ni.H2O/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;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;1-2(3)4;;/h1-20H;1-12H,13-15H2;1H3,(H,3,4);;1H2/q-1;;;+2;/p-1