1-(3,4-dimethylphenyl)-2-(4-methylquinolin-1-ium-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(3,4-dimethylphenyl)-2-(4-methylquinolin-1-ium-2-yl)sulfanyl-ethanone Openeye Name: 1-(3,4-dimethylphenyl)-2-(4-methylquinolin-1-ium-2-yl)sulfanyl-ethanone CAS Name: 1-(3,4-dimethylphenyl)-2-[(4-methyl-2-quinolin-1-iumyl)thio]ethanone IUPAC Name: 1-(3,4-dimethylphenyl)-2-(4-methylquinolin-1-ium-2-yl)sulfanylethanone Traditional Name: 1-(3,4-dimethylphenyl)-2-[(4-methylquinolin-1-ium-2-yl)thio]ethanone Formula: C20H20NOS+ MolecularWeight: 322.4439

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19NOS/c1-13-8-9-16(10-14(13)2)19(22)12-23-20-11-15(3)17-6-4-5-7-18(17)21-20/h4-11H,12H2,1-3H3/p+1