1-naphthalen-1-yl-3-phenyl-propane-1,3-diol; nickel(2+); piperidin-1-ide; 2H-pyridin-1-ide

Systemtic Name: 1-naphthalen-1-yl-3-phenyl-propane-1,3-diol; nickel(2+); piperidin-1-ide; 2H-pyridin-1-ide Openeye Name: nickelous; 1-(1-naphthyl)-3-phenyl-propane-1,3-diol; piperidin-1-ide; 2H-pyridin-1-ide CAS Name: 1-(1-naphthalenyl)-3-phenylpropane-1,3-diol; nickel(2+); piperidin-1-ide; 2H-pyridin-1-ide IUPAC Name: 1-naphthalen-1-yl-3-phenylpropane-1,3-diol; nickel(2+); piperidin-1-ide; 2H-pyridin-1-ide Traditional Name: nickelous; 1-(1-naphthyl)-3-phenyl-propane-1,3-diol; piperidin-1-ide; 2H-pyridin-1-ide Formula: C48H52N2NiO4 MolecularWeight: 779.63088

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N-]CC1.C1C=CC=C[N-]1.C1=CC=C(C=C1)C(CC(C2=CC=CC3=CC=CC=C32)O)O.C1=CC=C(C=C1)C(CC(C2=CC=CC3=CC=CC=C32)O)O.[Ni+2]

Isomeric SMILES

C1CC[N-]CC1.C1C=CC=C[N-]1.C1=CC=C(C=C1)C(CC(C2=CC=CC3=CC=CC=C32)O)O.C1=CC=C(C=C1)C(CC(C2=CC=CC3=CC=CC=C32)O)O.[Ni+2]

InChI

InChI=1S/2C19H18O2.C5H10N.C5H6N.Ni/c2*20-18(15-8-2-1-3-9-15)13-19(21)17-12-6-10-14-7-4-5-11-16(14)17;2*1-2-4-6-5-3-1;/h2*1-12,18-21H,13H2;1-5H2;1-4H,5H2;/q;;2*-1;+2