N-(2,6-dimethylphenyl)-2-(7-methoxy-4-methyl-quinolin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-(7-methoxy-4-methyl-quinolin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-(7-methoxy-4-methyl-quinolin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[(7-methoxy-4-methyl-2-quinolin-1-iumyl)thio]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-(7-methoxy-4-methylquinolin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[(7-methoxy-4-methyl-quinolin-1-ium-2-yl)thio]acetamide Formula: C21H23N2O2S+ MolecularWeight: 367.48452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CSC2=[NH+]C3=C(C=CC(=C3)OC)C(=C2)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CSC2=[NH+]C3=C(C=CC(=C3)OC)C(=C2)C

InChI

InChI=1S/C21H22N2O2S/c1-13-6-5-7-14(2)21(13)23-19(24)12-26-20-10-15(3)17-9-8-16(25-4)11-18(17)22-20/h5-11H,12H2,1-4H3,(H,23,24)/p+1