2-[[bis(piperidin-1-id-2-ylmethyl)amino]methyl]-4-methyl-6-(propyliminomethyl)cyclohexan-1-ol; ethane-1,1-diol; methanol; nickel

Systemtic Name: 2-[[bis(piperidin-1-id-2-ylmethyl)amino]methyl]-4-methyl-6-(propyliminomethyl)cyclohexan-1-ol; ethane-1,1-diol; methanol; nickel Openeye Name: 2-[[bis(piperidin-1-id-2-ylmethyl)amino]methyl]-4-methyl-6-(propyliminomethyl)cyclohexanol; ethane-1,1-diol; methanol; nickel CAS Name: 2-[[bis(2-piperidin-1-idylmethyl)amino]methyl]-4-methyl-6-(propyliminomethyl)-1-cyclohexanol; ethane-1,1-diol; methanol; nickel IUPAC Name: 2-[[bis(piperidin-1-id-2-ylmethyl)amino]methyl]-4-methyl-6-(propyliminomethyl)cyclohexan-1-ol; ethane-1,1-diol; methanol; nickel Traditional Name: 2-[[bis(piperidin-1-id-2-ylmethyl)amino]methyl]-4-methyl-6-(propyliminomethyl)cyclohexanol; ethane-1,1-diol; methanol; nickel Formula: C54H108N8Ni3O8-4 MolecularWeight: 1173.56432

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Descriptors Computed from Structure

Canonical SMILES:

CCCN=CC1CC(CC(C1O)CN(CC2CCCC[N-]2)CC3CCCC[N-]3)C.CCCN=CC1CC(CC(C1O)CN(CC2CCCC[N-]2)CC3CCCC[N-]3)C.CC(O)O.CC(O)O.CO.CO.[Ni].[Ni].[Ni]

Isomeric SMILES

CCCN=CC1CC(CC(C1O)CN(CC2CCCC[N-]2)CC3CCCC[N-]3)C.CCCN=CC1CC(CC(C1O)CN(CC2CCCC[N-]2)CC3CCCC[N-]3)C.CC(O)O.CC(O)O.CO.CO.[Ni].[Ni].[Ni]

InChI

InChI=1S/2C24H44N4O.2C2H6O2.2CH4O.3Ni/c2*1-3-10-25-15-20-13-19(2)14-21(24(20)29)16-28(17-22-8-4-6-11-26-22)18-23-9-5-7-12-27-23;2*1-2(3)4;2*1-2;;;/h2*15,19-24,29H,3-14,16-18H2,1-2H3;2*2-4H,1H3;2*2H,1H3;;;/q2*-2;;;;;;;