2-(2-methylpyridin-1-ium-1-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone bromide

Systemtic Name: 2-(2-methylpyridin-1-ium-1-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone bromide Openeye Name: 2-(2-methylpyridin-1-ium-1-yl)-1-tetralin-6-yl-ethanone bromide CAS Name: 2-(2-methyl-1-pyridin-1-iumyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone bromide IUPAC Name: 2-(2-methylpyridin-1-ium-1-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone bromide Traditional Name: 2-(2-methylpyridin-1-ium-1-yl)-1-tetralin-6-yl-ethanone bromide Formula: C18H20BrNO MolecularWeight: 346.2615

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=[N+]1CC(=O)C2=CC3=C(CCCC3)C=C2.[Br-]

Isomeric SMILES

CC1=CC=CC=[N+]1CC(=O)C2=CC3=C(CCCC3)C=C2.[Br-]

InChI

InChI=1S/C18H20NO.BrH/c1-14-6-4-5-11-19(14)13-18(20)17-10-9-15-7-2-3-8-16(15)12-17;/h4-6,9-12H,2-3,7-8,13H2,1H3;1H/q+1;/p-1