2-phenyl-4,7-diaza-1-azanidacyclononane; titanium(4+); trichloride

Systemtic Name: 2-phenyl-4,7-diaza-1-azanidacyclononane; titanium(4+); trichloride Openeye Name: 2-phenyl-4,7-diaza-1-azanidacyclononane; titanium(4+); trichloride CAS Name: 2-phenyl-4,7-diaza-1-azanidacyclononane; titanium(4+); trichloride IUPAC Name: 2-phenyl-4,7-diaza-1-azanidacyclononane; titanium(4+); trichloride Traditional Name: 2-phenyl-4,7-diaza-1-azanidacyclononane; titanium(4+); trichloride Formula: C12H18Cl3N3Ti MolecularWeight: 358.51742

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC([N-]CCN1)C2=CC=CC=C2.[Cl-].[Cl-].[Cl-].[Ti+4]

Isomeric SMILES

C1CNCC([N-]CCN1)C2=CC=CC=C2.[Cl-].[Cl-].[Cl-].[Ti+4]

InChI

InChI=1S/C12H18N3.3ClH.Ti/c1-2-4-11(5-3-1)12-10-14-7-6-13-8-9-15-12;;;;/h1-5,12-14H,6-10H2;3*1H;/q-1;;;;+4/p-3