1-[4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-yl]pyridin-1-ium bromide

Systemtic Name: 1-[4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-yl]pyridin-1-ium bromide Openeye Name: 1-[4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-yl]pyridin-1-ium bromide CAS Name: 1-[4-methyl-4-(trichloromethyl)-1-cyclohexa-2,5-dienyl]pyridin-1-ium bromide IUPAC Name: 1-[4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-yl]pyridin-1-ium bromide Traditional Name: 1-[4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-yl]pyridin-1-ium bromide Formula: C13H13BrCl3N MolecularWeight: 369.51202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CC(C=C1)[N+]2=CC=CC=C2)C(Cl)(Cl)Cl.[Br-]

Isomeric SMILES

CC1(C=CC(C=C1)[N+]2=CC=CC=C2)C(Cl)(Cl)Cl.[Br-]

InChI

InChI=1S/C13H13Cl3N.BrH/c1-12(13(14,15)16)7-5-11(6-8-12)17-9-3-2-4-10-17;/h2-11H,1H3;1H/q+1;/p-1