2-(4-methylquinolin-1-ium-2-yl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone

Systemtic Name: 2-(4-methylquinolin-1-ium-2-yl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone Openeye Name: 1-(4-isopropylphenyl)-2-(4-methylquinolin-1-ium-2-yl)sulfanyl-ethanone CAS Name: 2-[(4-methyl-2-quinolin-1-iumyl)thio]-1-(4-propan-2-ylphenyl)ethanone IUPAC Name: 2-(4-methylquinolin-1-ium-2-yl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone Traditional Name: 2-[(4-methylquinolin-1-ium-2-yl)thio]-1-p-cumenyl-ethanone Formula: C21H22NOS+ MolecularWeight: 336.47048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C2=CC=CC=C12)SCC(=O)C3=CC=C(C=C3)C(C)C

Isomeric SMILES

CC1=CC(=[NH+]C2=CC=CC=C12)SCC(=O)C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C21H21NOS/c1-14(2)16-8-10-17(11-9-16)20(23)13-24-21-12-15(3)18-6-4-5-7-19(18)22-21/h4-12,14H,13H2,1-3H3/p+1