N-[cyclopenta-1,4-dien-1-yl(phenyl)methyl]-N-ethyl-ethanamine; zirconium(2+); trichloride

Systemtic Name: N-[cyclopenta-1,4-dien-1-yl(phenyl)methyl]-N-ethyl-ethanamine; zirconium(2+); trichloride Openeye Name: N-[cyclopenta-1,4-dien-1-yl(phenyl)methyl]-N-ethyl-ethanamine; zirconium(2+); trichloride CAS Name: N-[1-cyclopenta-1,4-dienyl(phenyl)methyl]-N-ethylethanamine; zirconium(2+); trichloride IUPAC Name: N-[cyclopenta-1,4-dien-1-yl(phenyl)methyl]-N-ethylethanamine; zirconium(2+); trichloride Traditional Name: [cyclopenta-1,4-dien-1-yl(phenyl)methyl]-diethyl-amine; zirconium(2+); trichloride Formula: C16H20Cl3NZr-2 MolecularWeight: 423.9197

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(C1=CC=CC=C1)C2=[C-]CC=C2.[Cl-].[Cl-].[Cl-].[Zr+2]

Isomeric SMILES

CCN(CC)C(C1=CC=CC=C1)C2=[C-]CC=C2.[Cl-].[Cl-].[Cl-].[Zr+2]

InChI

InChI=1S/C16H20N.3ClH.Zr/c1-3-17(4-2)16(15-12-8-9-13-15)14-10-6-5-7-11-14;;;;/h5-8,10-12,16H,3-4,9H2,1-2H3;3*1H;/q-1;;;;+2/p-3