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

Systemtic Name: 1-methyl-5-phenyl-1,7,10-triaza-4-azanidacyclododecane; titanium(4+); trichloride Openeye Name: 1-methyl-5-phenyl-1,7,10-triaza-4-azanidacyclododecane; titanium(4+); trichloride CAS Name: 1-methyl-5-phenyl-1,7,10-triaza-4-azanidacyclododecane; titanium(4+); trichloride IUPAC Name: 1-methyl-5-phenyl-1,7,10-triaza-4-azanidacyclododecane; titanium(4+); trichloride Traditional Name: 1-methyl-5-phenyl-1,7,10-triaza-4-azanidacyclododecane; titanium(4+); trichloride Formula: C15H25Cl3N4Ti MolecularWeight: 415.6118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCNCCNCC([N-]CC1)C2=CC=CC=C2.[Cl-].[Cl-].[Cl-].[Ti+4]

Isomeric SMILES

CN1CCNCCNCC([N-]CC1)C2=CC=CC=C2.[Cl-].[Cl-].[Cl-].[Ti+4]

InChI

InChI=1S/C15H25N4.3ClH.Ti/c1-19-11-9-16-7-8-17-13-15(18-10-12-19)14-5-3-2-4-6-14;;;;/h2-6,15-17H,7-13H2,1H3;3*1H;/q-1;;;;+4/p-3