4-tert-butyl-2-(pyridin-1-ium-3-ylmethylidene)-6-(pyridin-3-ylmethylidene)cyclohexan-1-one

Systemtic Name: 4-tert-butyl-2-(pyridin-1-ium-3-ylmethylidene)-6-(pyridin-3-ylmethylidene)cyclohexan-1-one Openeye Name: 4-tert-butyl-2-(pyridin-1-ium-3-ylmethylene)-6-(3-pyridylmethylene)cyclohexanone CAS Name: 4-tert-butyl-2-(3-pyridin-1-iumylmethylidene)-6-(3-pyridinylmethylidene)-1-cyclohexanone IUPAC Name: 4-tert-butyl-2-(pyridin-1-ium-3-ylmethylidene)-6-(pyridin-3-ylmethylidene)cyclohexan-1-one Traditional Name: 4-tert-butyl-2-(pyridin-1-ium-3-ylmethylene)-6-(3-pyridylmethylene)cyclohexanone Formula: C22H25N2O+ MolecularWeight: 333.4467

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CC(=CC2=C[NH+]=CC=C2)C(=O)C(=CC3=CN=CC=C3)C1

Isomeric SMILES

CC(C)(C)C1CC(=CC2=C[NH+]=CC=C2)C(=O)C(=CC3=CN=CC=C3)C1

InChI

InChI=1S/C22H24N2O/c1-22(2,3)20-12-18(10-16-6-4-8-23-14-16)21(25)19(13-20)11-17-7-5-9-24-15-17/h4-11,14-15,20H,12-13H2,1-3H3/p+1