ethyl 2-(6-chloranyl-2,4-diphenyl-quinolin-1-ium-3-yl)sulfanylethanoate

Systemtic Name: ethyl 2-(6-chloranyl-2,4-diphenyl-quinolin-1-ium-3-yl)sulfanylethanoate Openeye Name: ethyl 2-(6-chloro-2,4-diphenyl-quinolin-1-ium-3-yl)sulfanylacetate CAS Name: 2-[(6-chloro-2,4-diphenyl-3-quinolin-1-iumyl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(6-chloro-2,4-diphenylquinolin-1-ium-3-yl)sulfanylacetate Traditional Name: 2-[(6-chloro-2,4-diphenyl-quinolin-1-ium-3-yl)thio]acetic acid ethyl ester Formula: C25H21ClNO2S+ MolecularWeight: 434.95774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C([NH+]=C2C=CC(=CC2=C1C3=CC=CC=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CSC1=C([NH+]=C2C=CC(=CC2=C1C3=CC=CC=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C25H20ClNO2S/c1-2-29-22(28)16-30-25-23(17-9-5-3-6-10-17)20-15-19(26)13-14-21(20)27-24(25)18-11-7-4-8-12-18/h3-15H,2,16H2,1H3/p+1