2-(4-methylquinolin-1-ium-2-yl)sulfanylethanoate

Systemtic Name: 2-(4-methylquinolin-1-ium-2-yl)sulfanylethanoate Openeye Name: 2-(4-methylquinolin-1-ium-2-yl)sulfanylacetate CAS Name: 2-[(4-methyl-2-quinolin-1-iumyl)thio]acetate IUPAC Name: 2-(4-methylquinolin-1-ium-2-yl)sulfanylacetate Traditional Name: 2-[(4-methylquinolin-1-ium-2-yl)thio]acetate Formula: C12H11NO2S MolecularWeight: 233.28624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11NO2S/c1-8-6-11(16-7-12(14)15)13-10-5-3-2-4-9(8)10/h2-6H,7H2,1H3,(H,14,15)