N-[[2-(1-octylquinolin-1-ium-3-yl)sulfanylphenyl]amino]methanamide

Systemtic Name: N-[[2-(1-octylquinolin-1-ium-3-yl)sulfanylphenyl]amino]methanamide Openeye Name: N-[2-(1-octylquinolin-1-ium-3-yl)sulfanylanilino]formamide CAS Name: N-[2-[(1-octyl-3-quinolin-1-iumyl)thio]anilino]formamide IUPAC Name: N-[2-(1-octylquinolin-1-ium-3-yl)sulfanylanilino]formamide Traditional Name: N-[2-[(1-octylquinolin-1-ium-3-yl)thio]anilino]formamide Formula: C24H30N3OS+ MolecularWeight: 408.5795

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+]1=CC(=CC2=CC=CC=C21)SC3=CC=CC=C3NNC=O

Isomeric SMILES

CCCCCCCC[N+]1=CC(=CC2=CC=CC=C21)SC3=CC=CC=C3NNC=O

InChI

InChI=1S/C24H29N3OS/c1-2-3-4-5-6-11-16-27-18-21(17-20-12-7-9-14-23(20)27)29-24-15-10-8-13-22(24)26-25-19-28/h7-10,12-15,17-19,26H,2-6,11,16H2,1H3/p+1