1-(13-methyl-5,9,13-triaza-1-azanidacyclohexadec-2-yl)ethanone; titanium(4+); trichloride

Systemtic Name: 1-(13-methyl-5,9,13-triaza-1-azanidacyclohexadec-2-yl)ethanone; titanium(4+); trichloride Openeye Name: 1-(13-methyl-5,9,13-triaza-1-azanidacyclohexadec-2-yl)ethanone; titanium(4+); trichloride CAS Name: 1-(13-methyl-5,9,13-triaza-1-azanidacyclohexadec-2-yl)ethanone; titanium(4+); trichloride IUPAC Name: 1-(13-methyl-5,9,13-triaza-1-azanidacyclohexadec-2-yl)ethanone; titanium(4+); trichloride Traditional Name: 1-(13-methyl-5,9,13-triaza-1-azanidacyclohexadec-2-yl)ethanone; titanium(4+); trichloride Formula: C15H31Cl3N4OTi MolecularWeight: 437.65884

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1CCNCCCNCCCN(CCC[N-]1)C.[Cl-].[Cl-].[Cl-].[Ti+4]

Isomeric SMILES

CC(=O)C1CCNCCCNCCCN(CCC[N-]1)C.[Cl-].[Cl-].[Cl-].[Ti+4]

InChI

InChI=1S/C15H31N4O.3ClH.Ti/c1-14(20)15-6-11-17-8-3-7-16-9-4-12-19(2)13-5-10-18-15;;;;/h15-17H,3-13H2,1-2H3;3*1H;/q-1;;;;+4/p-3