1-[2-(2-tert-butylphenoxy)-1-oxidanidyl-pyridin-1-ium-3-yl]-3-(4-tert-butylphenyl)urea

Systemtic Name: 1-[2-(2-tert-butylphenoxy)-1-oxidanidyl-pyridin-1-ium-3-yl]-3-(4-tert-butylphenyl)urea Openeye Name: 1-[2-(2-tert-butylphenoxy)-1-oxido-pyridin-1-ium-3-yl]-3-(4-tert-butylphenyl)urea CAS Name: 1-[2-(2-tert-butylphenoxy)-1-oxido-3-pyridin-1-iumyl]-3-(4-tert-butylphenyl)urea IUPAC Name: 1-[2-(2-tert-butylphenoxy)-1-oxidopyridin-1-ium-3-yl]-3-(4-tert-butylphenyl)urea Traditional Name: 1-[2-(2-tert-butylphenoxy)-1-oxido-pyridin-1-ium-3-yl]-3-(4-tert-butylphenyl)urea Formula: C26H31N3O3 MolecularWeight: 433.54264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)NC2=C([N+](=CC=C2)[O-])OC3=CC=CC=C3C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)NC2=C([N+](=CC=C2)[O-])OC3=CC=CC=C3C(C)(C)C

InChI

InChI=1S/C26H31N3O3/c1-25(2,3)18-13-15-19(16-14-18)27-24(30)28-21-11-9-17-29(31)23(21)32-22-12-8-7-10-20(22)26(4,5)6/h7-17H,1-6H3,(H2,27,28,30)