N-(2,5-dimethylphenyl)-2-(7-methoxy-4-methyl-quinolin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2,5-dimethylphenyl)-2-(7-methoxy-4-methyl-quinolin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(2,5-dimethylphenyl)-2-(7-methoxy-4-methyl-quinolin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-(2,5-dimethylphenyl)-2-[(7-methoxy-4-methyl-2-quinolin-1-iumyl)thio]acetamide IUPAC Name: N-(2,5-dimethylphenyl)-2-(7-methoxy-4-methylquinolin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(2,5-dimethylphenyl)-2-[(7-methoxy-4-methyl-quinolin-1-ium-2-yl)thio]acetamide Formula: C21H23N2O2S+ MolecularWeight: 367.48452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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