4-[2-(4-methylquinolin-1-ium-1-yl)ethanoyl]benzenecarbonitrile bromide

Systemtic Name: 4-[2-(4-methylquinolin-1-ium-1-yl)ethanoyl]benzenecarbonitrile bromide Openeye Name: 4-[2-(4-methylquinolin-1-ium-1-yl)acetyl]benzonitrile bromide CAS Name: 4-[2-(4-methyl-1-quinolin-1-iumyl)-1-oxoethyl]benzonitrile bromide IUPAC Name: 4-[2-(4-methylquinolin-1-ium-1-yl)acetyl]benzonitrile bromide Traditional Name: 4-[2-(4-methylquinolin-1-ium-1-yl)acetyl]benzonitrile bromide Formula: C19H15BrN2O MolecularWeight: 367.2392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C2=CC=CC=C12)CC(=O)C3=CC=C(C=C3)C#N.[Br-]

Isomeric SMILES

CC1=CC=[N+](C2=CC=CC=C12)CC(=O)C3=CC=C(C=C3)C#N.[Br-]

InChI

InChI=1S/C19H15N2O.BrH/c1-14-10-11-21(18-5-3-2-4-17(14)18)13-19(22)16-8-6-15(12-20)7-9-16;/h2-11H,13H2,1H3;1H/q+1;/p-1