5,5-bis(2,6-dimethylphenyl)-1,4-diaza-5-azoniabicyclo[2.1.1]hex-2-ene; cyclopenta-1,3-diene; titanium(3+); dichloride

Systemtic Name: 5,5-bis(2,6-dimethylphenyl)-1,4-diaza-5-azoniabicyclo[2.1.1]hex-2-ene; cyclopenta-1,3-diene; titanium(3+); dichloride Openeye Name: 5,5-bis(2,6-dimethylphenyl)-1,4-diaza-5-azoniabicyclo[2.1.1]hex-2-ene; cyclopenta-1,3-diene; titanium(3+); dichloride CAS Name: 5,5-bis(2,6-dimethylphenyl)-1,4-diaza-5-azoniabicyclo[2.1.1]hex-2-ene; cyclopenta-1,3-diene; titanium(3+); dichloride IUPAC Name: 5,5-bis(2,6-dimethylphenyl)-1,4-diaza-5-azoniabicyclo[2.1.1]hex-2-ene; cyclopenta-1,3-diene; titanium(3+); dichloride Traditional Name: 5,5-bis(2,6-dimethylphenyl)-1,4-diaza-5-azoniabicyclo[2.1.1]hex-2-ene; cyclopenta-1,3-diene; titanium(3+); dichloride Formula: C24H27Cl2N3Ti+ MolecularWeight: 476.26428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)[N+]2(N3CN2C=C3)C4=C(C=CC=C4C)C.C1C=CC=[C-]1.[Cl-].[Cl-].[Ti+3]

Isomeric SMILES

CC1=C(C(=CC=C1)C)[N+]2(N3CN2C=C3)C4=C(C=CC=C4C)C.C1C=CC=[C-]1.[Cl-].[Cl-].[Ti+3]

InChI

InChI=1S/C19H22N3.C5H5.2ClH.Ti/c1-14-7-5-8-15(2)18(14)22(20-11-12-21(22)13-20)19-16(3)9-6-10-17(19)4;1-2-4-5-3-1;;;/h5-12H,13H2,1-4H3;1-3H,4H2;2*1H;/q+1;-1;;;+3/p-2