iridium; 2-(3-methoxycyclohexyl)-5-(trifluoromethyl)piperidin-1-ide

Systemtic Name: iridium; 2-(3-methoxycyclohexyl)-5-(trifluoromethyl)piperidin-1-ide Openeye Name: iridium; 2-(3-methoxycyclohexyl)-5-(trifluoromethyl)piperidin-1-ide CAS Name: iridium; 2-(3-methoxycyclohexyl)-5-(trifluoromethyl)piperidin-1-ide IUPAC Name: iridium; 2-(3-methoxycyclohexyl)-5-(trifluoromethyl)piperidin-1-ide Traditional Name: iridium; 2-(3-methoxycyclohexyl)-5-(trifluoromethyl)piperidin-1-ide Formula: C39H60F9IrN3O3-6 MolecularWeight: 982.114629

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Descriptors Computed from Structure

Canonical SMILES:

COC1CC[CH-]C(C1)C2CCC(C[N-]2)C(F)(F)F.COC1CC[CH-]C(C1)C2CCC(C[N-]2)C(F)(F)F.COC1CC[CH-]C(C1)C2CCC(C[N-]2)C(F)(F)F.[Ir]

Isomeric SMILES

COC1CC[CH-]C(C1)C2CCC(C[N-]2)C(F)(F)F.COC1CC[CH-]C(C1)C2CCC(C[N-]2)C(F)(F)F.COC1CC[CH-]C(C1)C2CCC(C[N-]2)C(F)(F)F.[Ir]

InChI

InChI=1S/3C13H20F3NO.Ir/c3*1-18-11-4-2-3-9(7-11)12-6-5-10(8-17-12)13(14,15)16;/h3*3,9-12H,2,4-8H2,1H3;/q3*-2;