2-phenyl-5,9-diaza-1-azanidacyclododecane; titanium(4+); trichloride

Systemtic Name: 2-phenyl-5,9-diaza-1-azanidacyclododecane; titanium(4+); trichloride Openeye Name: 2-phenyl-5,9-diaza-1-azanidacyclododecane; titanium(4+); trichloride CAS Name: 2-phenyl-5,9-diaza-1-azanidacyclododecane; titanium(4+); trichloride IUPAC Name: 2-phenyl-5,9-diaza-1-azanidacyclododecane; titanium(4+); trichloride Traditional Name: 2-phenyl-5,9-diaza-1-azanidacyclododecane; titanium(4+); trichloride Formula: C15H24Cl3N3Ti MolecularWeight: 400.59716

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC[N-]C(CCNC1)C2=CC=CC=C2.[Cl-].[Cl-].[Cl-].[Ti+4]

Isomeric SMILES

C1CNCCC[N-]C(CCNC1)C2=CC=CC=C2.[Cl-].[Cl-].[Cl-].[Ti+4]

InChI

InChI=1S/C15H24N3.3ClH.Ti/c1-2-6-14(7-3-1)15-8-13-17-10-4-9-16-11-5-12-18-15;;;;/h1-3,6-7,15-17H,4-5,8-13H2;3*1H;/q-1;;;;+4/p-3