1-methyl-1,4-diaza-7-azanidacyclononane; phenol; titanium(3+); dichloride

Systemtic Name: 1-methyl-1,4-diaza-7-azanidacyclononane; phenol; titanium(3+); dichloride Openeye Name: 1-methyl-1,4-diaza-7-azanidacyclononane; phenol; titanium(3+); dichloride CAS Name: 1-methyl-1,4-diaza-7-azanidacyclononane; phenol; titanium(3+); dichloride IUPAC Name: 1-methyl-1,4-diaza-7-azanidacyclononane; phenol; titanium(3+); dichloride Traditional Name: 1-methyl-1,4-diaza-7-azanidacyclononane; phenol; titanium(3+); dichloride Formula: C13H22Cl2N3OTi MolecularWeight: 355.10628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCNCC[N-]CC1.C1=CC=C(C=C1)O.[Cl-].[Cl-].[Ti+3]

Isomeric SMILES

CN1CCNCC[N-]CC1.C1=CC=C(C=C1)O.[Cl-].[Cl-].[Ti+3]

InChI

InChI=1S/C7H16N3.C6H6O.2ClH.Ti/c1-10-6-4-8-2-3-9-5-7-10;7-6-4-2-1-3-5-6;;;/h8H,2-7H2,1H3;1-5,7H;2*1H;/q-1;;;;+3/p-2