2-phenyl-5-aza-1-azanidacyclooctane; titanium(3+); dichloride

Systemtic Name: 2-phenyl-5-aza-1-azanidacyclooctane; titanium(3+); dichloride Openeye Name: 2-phenyl-5-aza-1-azanidacyclooctane; titanium(3+); dichloride CAS Name: 2-phenyl-5-aza-1-azanidacyclooctane; titanium(3+); dichloride IUPAC Name: 2-phenyl-5-aza-1-azanidacyclooctane; titanium(3+); dichloride Traditional Name: 2-phenyl-5-aza-1-azanidacyclooctane; titanium(3+); dichloride Formula: C12H17Cl2N2Ti MolecularWeight: 308.04978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC([N-]C1)C2=CC=CC=C2.[Cl-].[Cl-].[Ti+3]

Isomeric SMILES

C1CNCCC([N-]C1)C2=CC=CC=C2.[Cl-].[Cl-].[Ti+3]

InChI

InChI=1S/C12H17N2.2ClH.Ti/c1-2-5-11(6-3-1)12-7-10-13-8-4-9-14-12;;;/h1-3,5-6,12-13H,4,7-10H2;2*1H;/q-1;;;+3/p-2