N-[1-[2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl]pyridin-1-ium-3-yl]benzamide bromide

Systemtic Name: N-[1-[2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl]pyridin-1-ium-3-yl]benzamide bromide Openeye Name: N-[1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyridin-1-ium-3-yl]benzamide bromide CAS Name: N-[1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]-3-pyridin-1-iumyl]benzamide bromide IUPAC Name: N-[1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyridin-1-ium-3-yl]benzamide bromide Traditional Name: N-[1-(2-keto-2-mesityl-ethyl)pyridin-1-ium-3-yl]benzamide bromide Formula: C23H23BrN2O2 MolecularWeight: 439.34492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)C[N+]2=CC=CC(=C2)NC(=O)C3=CC=CC=C3)C.[Br-]

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)C[N+]2=CC=CC(=C2)NC(=O)C3=CC=CC=C3)C.[Br-]

InChI

InChI=1S/C23H22N2O2.BrH/c1-16-12-17(2)22(18(3)13-16)21(26)15-25-11-7-10-20(14-25)24-23(27)19-8-5-4-6-9-19;/h4-14H,15H2,1-3H3;1H