2-(1-ethyl-6-methoxy-quinolin-1-ium-2-yl)sulfanylethanoate

Systemtic Name: 2-(1-ethyl-6-methoxy-quinolin-1-ium-2-yl)sulfanylethanoate Openeye Name: 2-(1-ethyl-6-methoxy-quinolin-1-ium-2-yl)sulfanylacetate CAS Name: 2-[(1-ethyl-6-methoxy-2-quinolin-1-iumyl)thio]acetate IUPAC Name: 2-(1-ethyl-6-methoxyquinolin-1-ium-2-yl)sulfanylacetate Traditional Name: 2-[(1-ethyl-6-methoxy-quinolin-1-ium-2-yl)thio]acetate Formula: C14H15NO3S MolecularWeight: 277.3388

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C=CC2=C1C=CC(=C2)OC)SCC(=O)[O-]

Isomeric SMILES

CC[N+]1=C(C=CC2=C1C=CC(=C2)OC)SCC(=O)[O-]

InChI

InChI=1S/C14H15NO3S/c1-3-15-12-6-5-11(18-2)8-10(12)4-7-13(15)19-9-14(16)17/h4-8H,3,9H2,1-2H3