carbanide; cyclononane-1,4,7-triamine; ethanone; titanium(4+); trichloride

Systemtic Name: carbanide; cyclononane-1,4,7-triamine; ethanone; titanium(4+); trichloride Openeye Name: carbanide; cyclononane-1,4,7-triamine; ethanone; titanium(4+); trichloride CAS Name: carbanide; cyclononane-1,4,7-triamine; ethanone; titanium(4+); trichloride IUPAC Name: carbanide; cyclononane-1,4,7-triamine; ethanone; titanium(4+); trichloride Traditional Name: carbanide; (4,7-diaminocyclononyl)amine; ethanone; titanium(4+); trichloride Formula: C13H29Cl3N3OTi-3 MolecularWeight: 397.61486

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Descriptors Computed from Structure

Canonical SMILES:

[CH3-].[CH3-].C[C-]=O.C1CC(CC[C-](CCC1N)N)N.[Cl-].[Cl-].[Cl-].[Ti+4]

Isomeric SMILES

[CH3-].[CH3-].C[C-]=O.C1CC(CC[C-](CCC1N)N)N.[Cl-].[Cl-].[Cl-].[Ti+4]

InChI

InChI=1S/C9H20N3.C2H3O.2CH3.3ClH.Ti/c10-7-1-2-8(11)5-6-9(12)4-3-7;1-2-3;;;;;;/h7-8H,1-6,10-12H2;1H3;2*1H3;3*1H;/q4*-1;;;;+4/p-3