1-methyl-4-phenyl-1-aza-5-azanidacyclooctane; titanium(4+); trichloride

Systemtic Name: 1-methyl-4-phenyl-1-aza-5-azanidacyclooctane; titanium(4+); trichloride Openeye Name: 1-methyl-4-phenyl-1-aza-5-azanidacyclooctane; titanium(4+); trichloride CAS Name: 1-methyl-4-phenyl-1-aza-5-azanidacyclooctane; titanium(4+); trichloride IUPAC Name: 1-methyl-4-phenyl-1-aza-5-azanidacyclooctane; titanium(4+); trichloride Traditional Name: 1-methyl-4-phenyl-1-aza-5-azanidacyclooctane; titanium(4+); trichloride Formula: C13H19Cl3N2Ti MolecularWeight: 357.52936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC[N-]C(CC1)C2=CC=CC=C2.[Cl-].[Cl-].[Cl-].[Ti+4]

Isomeric SMILES

CN1CCC[N-]C(CC1)C2=CC=CC=C2.[Cl-].[Cl-].[Cl-].[Ti+4]

InChI

InChI=1S/C13H19N2.3ClH.Ti/c1-15-10-5-9-14-13(8-11-15)12-6-3-2-4-7-12;;;;/h2-4,6-7,13H,5,8-11H2,1H3;3*1H;/q-1;;;;+4/p-3