2-(6-chloranyl-2-methyl-quinolin-1-ium-4-yl)sulfanylethanoate

Systemtic Name: 2-(6-chloranyl-2-methyl-quinolin-1-ium-4-yl)sulfanylethanoate Openeye Name: 2-(6-chloro-2-methyl-quinolin-1-ium-4-yl)sulfanylacetate CAS Name: 2-[(6-chloro-2-methyl-4-quinolin-1-iumyl)thio]acetate IUPAC Name: 2-(6-chloro-2-methylquinolin-1-ium-4-yl)sulfanylacetate Traditional Name: 2-[(6-chloro-2-methyl-quinolin-1-ium-4-yl)thio]acetate Formula: C12H10ClNO2S MolecularWeight: 267.7313

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C2=C(C=C(C=C2)Cl)C(=C1)SCC(=O)[O-]

Isomeric SMILES

CC1=[NH+]C2=C(C=C(C=C2)Cl)C(=C1)SCC(=O)[O-]

InChI

InChI=1S/C12H10ClNO2S/c1-7-4-11(17-6-12(15)16)9-5-8(13)2-3-10(9)14-7/h2-5H,6H2,1H3,(H,15,16)