1-methyl-5-(trifluoromethyl)-1,7,10-triaza-4-azanidacyclododecane; titanium(4+); trichloride

Systemtic Name: 1-methyl-5-(trifluoromethyl)-1,7,10-triaza-4-azanidacyclododecane; titanium(4+); trichloride Openeye Name: 1-methyl-5-(trifluoromethyl)-1,7,10-triaza-4-azanidacyclododecane; titanium(4+); trichloride CAS Name: 1-methyl-5-(trifluoromethyl)-1,7,10-triaza-4-azanidacyclododecane; titanium(4+); trichloride IUPAC Name: 1-methyl-5-(trifluoromethyl)-1,7,10-triaza-4-azanidacyclododecane; titanium(4+); trichloride Traditional Name: 1-methyl-5-(trifluoromethyl)-1,7,10-triaza-4-azanidacyclododecane; titanium(4+); trichloride Formula: C10H20Cl3F3N4Ti MolecularWeight: 407.51381

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCNCCNCC([N-]CC1)C(F)(F)F.[Cl-].[Cl-].[Cl-].[Ti+4]

Isomeric SMILES

CN1CCNCCNCC([N-]CC1)C(F)(F)F.[Cl-].[Cl-].[Cl-].[Ti+4]

InChI

InChI=1S/C10H20F3N4.3ClH.Ti/c1-17-6-4-14-2-3-15-8-9(10(11,12)13)16-5-7-17;;;;/h9,14-15H,2-8H2,1H3;3*1H;/q-1;;;;+4/p-3