4-ethyl-2,6-bis(pyridin-1-ium-3-ylmethylidene)cyclohexan-1-one

Systemtic Name: 4-ethyl-2,6-bis(pyridin-1-ium-3-ylmethylidene)cyclohexan-1-one Openeye Name: 4-ethyl-2,6-bis(pyridin-1-ium-3-ylmethylene)cyclohexanone CAS Name: 4-ethyl-2,6-bis(3-pyridin-1-iumylmethylidene)-1-cyclohexanone IUPAC Name: 4-ethyl-2,6-bis(pyridin-1-ium-3-ylmethylidene)cyclohexan-1-one Traditional Name: 4-ethyl-2,6-bis(pyridin-1-ium-3-ylmethylene)cyclohexanone Formula: C20H22N2O+2 MolecularWeight: 306.40148

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(=CC2=C[NH+]=CC=C2)C(=O)C(=CC3=C[NH+]=CC=C3)C1

Isomeric SMILES

CCC1CC(=CC2=C[NH+]=CC=C2)C(=O)C(=CC3=C[NH+]=CC=C3)C1

InChI

InChI=1S/C20H20N2O/c1-2-15-9-18(11-16-5-3-7-21-13-16)20(23)19(10-15)12-17-6-4-8-22-14-17/h3-8,11-15H,2,9-10H2,1H3/p+2