1-methyl-1,5-diaza-9-azanidacyclododecane; phenol; titanium(3+); dichloride

Systemtic Name: 1-methyl-1,5-diaza-9-azanidacyclododecane; phenol; titanium(3+); dichloride Openeye Name: 1-methyl-1,5-diaza-9-azanidacyclododecane; phenol; titanium(3+); dichloride CAS Name: 1-methyl-1,5-diaza-9-azanidacyclododecane; phenol; titanium(3+); dichloride IUPAC Name: 1-methyl-1,5-diaza-9-azanidacyclododecane; phenol; titanium(3+); dichloride Traditional Name: 1-methyl-1,5-diaza-9-azanidacyclododecane; phenol; titanium(3+); dichloride Formula: C16H28Cl2N3OTi MolecularWeight: 397.18602

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCNCCC[N-]CCC1.C1=CC=C(C=C1)O.[Cl-].[Cl-].[Ti+3]

Isomeric SMILES

CN1CCCNCCC[N-]CCC1.C1=CC=C(C=C1)O.[Cl-].[Cl-].[Ti+3]

InChI

InChI=1S/C10H22N3.C6H6O.2ClH.Ti/c1-13-9-3-7-11-5-2-6-12-8-4-10-13;7-6-4-2-1-3-5-6;;;/h11H,2-10H2,1H3;1-5,7H;2*1H;/q-1;;;;+3/p-2