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

Systemtic Name: propan-2-yl 2-(4-methylquinolin-1-ium-2-yl)sulfanylethanoate Openeye Name: isopropyl 2-(4-methylquinolin-1-ium-2-yl)sulfanylacetate CAS Name: 2-[(4-methyl-2-quinolin-1-iumyl)thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(4-methylquinolin-1-ium-2-yl)sulfanylacetate Traditional Name: 2-[(4-methylquinolin-1-ium-2-yl)thio]acetic acid isopropyl ester Formula: C15H18NO2S+ MolecularWeight: 276.37392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17NO2S/c1-10(2)18-15(17)9-19-14-8-11(3)12-6-4-5-7-13(12)16-14/h4-8,10H,9H2,1-3H3/p+1