4-[2-(6-methylquinolin-1-ium-1-yl)ethanoyl]benzenecarbonitrile bromide

Systemtic Name: 4-[2-(6-methylquinolin-1-ium-1-yl)ethanoyl]benzenecarbonitrile bromide Openeye Name: 4-[2-(6-methylquinolin-1-ium-1-yl)acetyl]benzonitrile bromide CAS Name: 4-[2-(6-methyl-1-quinolin-1-iumyl)-1-oxoethyl]benzonitrile bromide IUPAC Name: 4-[2-(6-methylquinolin-1-ium-1-yl)acetyl]benzonitrile bromide Traditional Name: 4-[2-(6-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=CC2=C(C=C1)[N+](=CC=C2)CC(=O)C3=CC=C(C=C3)C#N.[Br-]

Isomeric SMILES

CC1=CC2=C(C=C1)[N+](=CC=C2)CC(=O)C3=CC=C(C=C3)C#N.[Br-]

InChI

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