N-(2,4-dimethylphenyl)-2-(4-methylquinolin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2,4-dimethylphenyl)-2-(4-methylquinolin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(2,4-dimethylphenyl)-2-(4-methylquinolin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-(2,4-dimethylphenyl)-2-[(4-methyl-2-quinolin-1-iumyl)thio]acetamide IUPAC Name: N-(2,4-dimethylphenyl)-2-(4-methylquinolin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(2,4-dimethylphenyl)-2-[(4-methylquinolin-1-ium-2-yl)thio]acetamide Formula: C20H21N2OS+ MolecularWeight: 337.45854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=[NH+]C3=CC=CC=C3C(=C2)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=[NH+]C3=CC=CC=C3C(=C2)C)C

InChI

InChI=1S/C20H20N2OS/c1-13-8-9-17(15(3)10-13)21-19(23)12-24-20-11-14(2)16-6-4-5-7-18(16)22-20/h4-11H,12H2,1-3H3,(H,21,23)/p+1