2-[2-[2-(4-tert-butylphenyl)sulfanylethyl]pyridin-1-ium-1-yl]-1-phenyl-ethanone

Systemtic Name: 2-[2-[2-(4-tert-butylphenyl)sulfanylethyl]pyridin-1-ium-1-yl]-1-phenyl-ethanone Openeye Name: 2-[2-[2-(4-tert-butylphenyl)sulfanylethyl]pyridin-1-ium-1-yl]-1-phenyl-ethanone CAS Name: 2-[2-[2-[(4-tert-butylphenyl)thio]ethyl]-1-pyridin-1-iumyl]-1-phenylethanone IUPAC Name: 2-[2-[2-(4-tert-butylphenyl)sulfanylethyl]pyridin-1-ium-1-yl]-1-phenylethanone Traditional Name: 2-[2-[2-[(4-tert-butylphenyl)thio]ethyl]pyridin-1-ium-1-yl]-1-phenyl-ethanone Formula: C25H28NOS+ MolecularWeight: 390.56092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SCCC2=CC=CC=[N+]2CC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SCCC2=CC=CC=[N+]2CC(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H28NOS/c1-25(2,3)21-12-14-23(15-13-21)28-18-16-22-11-7-8-17-26(22)19-24(27)20-9-5-4-6-10-20/h4-15,17H,16,18-19H2,1-3H3/q+1