1-methyl-6-phenyl-1,9-diaza-5-azanidacyclododecane; titanium(3+); dichloride

Systemtic Name: 1-methyl-6-phenyl-1,9-diaza-5-azanidacyclododecane; titanium(3+); dichloride Openeye Name: 1-methyl-6-phenyl-1,9-diaza-5-azanidacyclododecane; titanium(3+); dichloride CAS Name: 1-methyl-6-phenyl-1,9-diaza-5-azanidacyclododecane; titanium(3+); dichloride IUPAC Name: 1-methyl-6-phenyl-1,9-diaza-5-azanidacyclododecane; titanium(3+); dichloride Traditional Name: 1-methyl-6-phenyl-1,9-diaza-5-azanidacyclododecane; titanium(3+); dichloride Formula: C16H26Cl2N3Ti MolecularWeight: 379.17074

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCNCCC([N-]CCC1)C2=CC=CC=C2.[Cl-].[Cl-].[Ti+3]

Isomeric SMILES

CN1CCCNCCC([N-]CCC1)C2=CC=CC=C2.[Cl-].[Cl-].[Ti+3]

InChI

InChI=1S/C16H26N3.2ClH.Ti/c1-19-13-5-10-17-12-9-16(18-11-6-14-19)15-7-3-2-4-8-15;;;/h2-4,7-8,16-17H,5-6,9-14H2,1H3;2*1H;/q-1;;;+3/p-2