1-(5,8-diethanoyl-7-methyl-4,7-diaza-1-azanidacyclonon-2-yl)ethanone; titanium(3+); dichloride

Systemtic Name: 1-(5,8-diethanoyl-7-methyl-4,7-diaza-1-azanidacyclonon-2-yl)ethanone; titanium(3+); dichloride Openeye Name: 1-(5,8-diacetyl-7-methyl-4,7-diaza-1-azanidacyclonon-2-yl)ethanone; titanium(3+); dichloride CAS Name: 1-(5,8-diacetyl-7-methyl-4,7-diaza-1-azanidacyclonon-2-yl)ethanone; titanium(3+); dichloride IUPAC Name: 1-(5,8-diacetyl-7-methyl-4,7-diaza-1-azanidacyclonon-2-yl)ethanone; titanium(3+); dichloride Traditional Name: 1-(5,8-diacetyl-7-methyl-4,7-diaza-1-azanidacyclonon-2-yl)ethanone; titanium(3+); dichloride Formula: C13H22Cl2N3O3Ti MolecularWeight: 387.10508

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1CNC(CN(C(C[N-]1)C(=O)C)C)C(=O)C.[Cl-].[Cl-].[Ti+3]

Isomeric SMILES

CC(=O)C1CNC(CN(C(C[N-]1)C(=O)C)C)C(=O)C.[Cl-].[Cl-].[Ti+3]

InChI

InChI=1S/C13H22N3O3.2ClH.Ti/c1-8(17)11-5-14-12(9(2)18)7-16(4)13(6-15-11)10(3)19;;;/h11-14H,5-7H2,1-4H3;2*1H;/q-1;;;+3/p-2