2-(4-methylquinolin-1-ium-2-yl)sulfanyl-1-phenyl-ethanone

Systemtic Name: 2-(4-methylquinolin-1-ium-2-yl)sulfanyl-1-phenyl-ethanone Openeye Name: 2-(4-methylquinolin-1-ium-2-yl)sulfanyl-1-phenyl-ethanone CAS Name: 2-[(4-methyl-2-quinolin-1-iumyl)thio]-1-phenylethanone IUPAC Name: 2-(4-methylquinolin-1-ium-2-yl)sulfanyl-1-phenylethanone Traditional Name: 2-[(4-methylquinolin-1-ium-2-yl)thio]-1-phenyl-ethanone Formula: C18H16NOS+ MolecularWeight: 294.39074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C2=CC=CC=C12)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=[NH+]C2=CC=CC=C12)SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H15NOS/c1-13-11-18(19-16-10-6-5-9-15(13)16)21-12-17(20)14-7-3-2-4-8-14/h2-11H,12H2,1H3/p+1