copper(1+); N-[dideuterio(phenyl)methyl]-N-ethyl-2-pyridin-2-yl-ethanamine; dihexafluorophosphate; dihydrate

Systemtic Name: copper(1+); N-[dideuterio(phenyl)methyl]-N-ethyl-2-pyridin-2-yl-ethanamine; dihexafluorophosphate; dihydrate Openeye Name: dicuprous N-[dideuterio(phenyl)methyl]-N-ethyl-2-(2-pyridyl)ethanamine dihexafluorophosphate dihydrate CAS Name: copper(1+); N-[dideuterio(phenyl)methyl]-N-ethyl-2-(2-pyridinyl)ethanamine; dihexafluorophosphate; dihydrate IUPAC Name: copper(1+); N-[dideuterio(phenyl)methyl]-N-ethyl-2-pyridin-2-ylethanamine; dihexafluorophosphate; dihydrate Traditional Name: dicuprous [dideuterio(phenyl)methyl]-ethyl-[2-(2-pyridyl)ethyl]amine dihexafluorophosphate dihydrate Formula: C32H44Cu2F12N4O2P2 MolecularWeight: 937.762368

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC1=CC=CC=N1)CC2=CC=CC=C2.CCN(CCC1=CC=CC=N1)CC2=CC=CC=C2.O.O.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Cu+].[Cu+]

Isomeric SMILES

[2H]C([2H])(C1=CC=CC=C1)N(CC)CCC2=CC=CC=N2.[2H]C([2H])(C1=CC=CC=C1)N(CC)CCC2=CC=CC=N2.O.O.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Cu+].[Cu+]

InChI

InChI=1S/2C16H20N2.2Cu.2F6P.2H2O/c2*1-2-18(14-15-8-4-3-5-9-15)13-11-16-10-6-7-12-17-16;;;2*1-7(2,3,4,5)6;;/h2*3-10,12H,2,11,13-14H2,1H3;;;;;2*1H2/q;;2*+1;2*-1;;/i2*14D2;;;;;;