N,N-diethyl-2-(3-phenylcyclopenta-1,4-dien-1-yl)ethanamine; titanium(4+); trichloride

Systemtic Name: N,N-diethyl-2-(3-phenylcyclopenta-1,4-dien-1-yl)ethanamine; titanium(4+); trichloride Openeye Name: N,N-diethyl-2-(3-phenylcyclopenta-1,4-dien-1-yl)ethanamine; titanium(4+); trichloride CAS Name: N,N-diethyl-2-(3-phenyl-1-cyclopenta-1,4-dienyl)ethanamine; titanium(4+); trichloride IUPAC Name: N,N-diethyl-2-(3-phenylcyclopenta-1,4-dien-1-yl)ethanamine; titanium(4+); trichloride Traditional Name: diethyl-[2-(3-phenylcyclopenta-1,4-dien-1-yl)ethyl]amine; titanium(4+); trichloride Formula: C17H22Cl3NTi MolecularWeight: 394.58928

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC1=C[C-](C=C1)C2=CC=CC=C2.[Cl-].[Cl-].[Cl-].[Ti+4]

Isomeric SMILES

CCN(CC)CCC1=C[C-](C=C1)C2=CC=CC=C2.[Cl-].[Cl-].[Cl-].[Ti+4]

InChI

InChI=1S/C17H22N.3ClH.Ti/c1-3-18(4-2)13-12-15-10-11-17(14-15)16-8-6-5-7-9-16;;;;/h5-11,14H,3-4,12-13H2,1-2H3;3*1H;/q-1;;;;+4/p-3