1-(6,10-diethanoyl-5-methyl-1,5-diaza-9-azanidacyclododec-2-yl)ethanone; titanium(3+); dichloride

Systemtic Name: 1-(6,10-diethanoyl-5-methyl-1,5-diaza-9-azanidacyclododec-2-yl)ethanone; titanium(3+); dichloride Openeye Name: 1-(6,10-diacetyl-5-methyl-1,5-diaza-9-azanidacyclododec-2-yl)ethanone; titanium(3+); dichloride CAS Name: 1-(6,10-diacetyl-5-methyl-1,5-diaza-9-azanidacyclododec-2-yl)ethanone; titanium(3+); dichloride IUPAC Name: 1-(6,10-diacetyl-5-methyl-1,5-diaza-9-azanidacyclododec-2-yl)ethanone; titanium(3+); dichloride Traditional Name: 1-(6,10-diacetyl-5-methyl-1,5-diaza-9-azanidacyclododec-2-yl)ethanone; titanium(3+); dichloride Formula: C16H28Cl2N3O3Ti MolecularWeight: 429.18482

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1CCN(C(CC[N-]C(CCN1)C(=O)C)C(=O)C)C.[Cl-].[Cl-].[Ti+3]

Isomeric SMILES

CC(=O)C1CCN(C(CC[N-]C(CCN1)C(=O)C)C(=O)C)C.[Cl-].[Cl-].[Ti+3]

InChI

InChI=1S/C16H28N3O3.2ClH.Ti/c1-11(20)14-5-8-17-15(12(2)21)7-10-19(4)16(13(3)22)6-9-18-14;;;/h14-17H,5-10H2,1-4H3;2*1H;/q-1;;;+3/p-2