1-(9-methyl-5,9-diaza-1-azanidacyclododec-2-yl)ethanone; titanium(3+); dichloride

Systemtic Name: 1-(9-methyl-5,9-diaza-1-azanidacyclododec-2-yl)ethanone; titanium(3+); dichloride Openeye Name: 1-(9-methyl-5,9-diaza-1-azanidacyclododec-2-yl)ethanone; titanium(3+); dichloride CAS Name: 1-(9-methyl-5,9-diaza-1-azanidacyclododec-2-yl)ethanone; titanium(3+); dichloride IUPAC Name: 1-(9-methyl-5,9-diaza-1-azanidacyclododec-2-yl)ethanone; titanium(3+); dichloride Traditional Name: 1-(9-methyl-5,9-diaza-1-azanidacyclododec-2-yl)ethanone; titanium(3+); dichloride Formula: C12H24Cl2N3OTi MolecularWeight: 345.11146

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1CCNCCCN(CCC[N-]1)C.[Cl-].[Cl-].[Ti+3]

Isomeric SMILES

CC(=O)C1CCNCCCN(CCC[N-]1)C.[Cl-].[Cl-].[Ti+3]

InChI

InChI=1S/C12H24N3O.2ClH.Ti/c1-11(16)12-5-8-13-6-3-9-15(2)10-4-7-14-12;;;/h12-13H,3-10H2,1-2H3;2*1H;/q-1;;;+3/p-2