ethane-1,1-diol; 4-methyl-2-[[methyl-[2-(2H-pyridin-1-id-2-yl)ethyl]amino]methyl]-6-[(2-piperidin-1-id-2-ylethylamino)methylidene]cyclohexa-2,4-dien-1-one; nickel(2+); isothiocyanate

Systemtic Name: ethane-1,1-diol; 4-methyl-2-[[methyl-[2-(2H-pyridin-1-id-2-yl)ethyl]amino]methyl]-6-[(2-piperidin-1-id-2-ylethylamino)methylidene]cyclohexa-2,4-dien-1-one; nickel(2+); isothiocyanate Openeye Name: dinickelous; ethane-1,1-diol; 4-methyl-2-[[methyl-[2-(2H-pyridin-1-id-2-yl)ethyl]amino]methyl]-6-[(2-piperidin-1-id-2-ylethylamino)methylene]cyclohexa-2,4-dien-1-one; isothiocyanate CAS Name: ethane-1,1-diol; 4-methyl-2-[[methyl-[2-(2H-pyridin-1-id-2-yl)ethyl]amino]methyl]-6-[[2-(2-piperidin-1-idyl)ethylamino]methylidene]-1-cyclohexa-2,4-dienone; nickel(2+); isothiocyanate IUPAC Name: ethane-1,1-diol; 4-methyl-2-[[methyl-[2-(2H-pyridin-1-id-2-yl)ethyl]amino]methyl]-6-[(2-piperidin-1-id-2-ylethylamino)methylidene]cyclohexa-2,4-dien-1-one; nickel(2+); isothiocyanate Traditional Name: dinickelous; ethane-1,1-diol; 4-methyl-2-[[methyl-[2-(2H-pyridin-1-id-2-yl)ethyl]amino]methyl]-6-[(2-piperidin-1-id-2-ylethylamino)methylene]cyclohexa-2,4-dien-1-one; isothiocyanate Formula: C29H46N5Ni2O5S+ MolecularWeight: 694.15784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CNCCC2CCCC[N-]2)C(=O)C(=C1)CN(C)CCC3C=CC=C[N-]3.CC(O)O.CC(O)O.C(=[N-])=S.[Ni+2].[Ni+2]

Isomeric SMILES

CC1=CC(=CNCCC2CCCC[N-]2)C(=O)C(=C1)CN(C)CCC3C=CC=C[N-]3.CC(O)O.CC(O)O.C(=[N-])=S.[Ni+2].[Ni+2]

InChI

InChI=1S/C24H34N4O.2C2H6O2.CNS.2Ni/c1-19-15-20(17-25-13-9-22-7-3-5-11-26-22)24(29)21(16-19)18-28(2)14-10-23-8-4-6-12-27-23;2*1-2(3)4;2-1-3;;/h4,6,8,12,15-17,22-23H,3,5,7,9-11,13-14,18H2,1-2H3,(H,25,29);2*2-4H,1H3;;;/q-2;;;-1;2*+2