1-(2,3,4,5,6-pentamethylphenyl)-2-pyridin-1-ium-1-yl-ethanone

Systemtic Name: 1-(2,3,4,5,6-pentamethylphenyl)-2-pyridin-1-ium-1-yl-ethanone Openeye Name: 1-(2,3,4,5,6-pentamethylphenyl)-2-pyridin-1-ium-1-yl-ethanone CAS Name: 1-(2,3,4,5,6-pentamethylphenyl)-2-(1-pyridin-1-iumyl)ethanone IUPAC Name: 1-(2,3,4,5,6-pentamethylphenyl)-2-pyridin-1-ium-1-ylethanone Traditional Name: 1-(2,3,4,5,6-pentamethylphenyl)-2-pyridin-1-ium-1-yl-ethanone Formula: C18H22NO+ MolecularWeight: 268.37338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)C(=O)C[N+]2=CC=CC=C2)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)C(=O)C[N+]2=CC=CC=C2)C)C

InChI

InChI=1S/C18H22NO/c1-12-13(2)15(4)18(16(5)14(12)3)17(20)11-19-9-7-6-8-10-19/h6-10H,11H2,1-5H3/q+1