2-azaniumyl-3-(6-bromanyl-2-methyl-quinolin-4-yl)sulfanyl-propanoate

Systemtic Name: 2-azaniumyl-3-(6-bromanyl-2-methyl-quinolin-4-yl)sulfanyl-propanoate Openeye Name: 2-azaniumyl-3-[(6-bromo-2-methyl-4-quinolyl)sulfanyl]propanoate CAS Name: 2-ammonio-3-[(6-bromo-2-methyl-4-quinolinyl)thio]propanoate IUPAC Name: 2-azaniumyl-3-(6-bromo-2-methylquinolin-4-yl)sulfanylpropanoate Traditional Name: 2-ammonio-3-[(6-bromo-2-methyl-4-quinolyl)thio]propionate Formula: C13H13BrN2O2S MolecularWeight: 341.22352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)Br)C(=C1)SCC(C(=O)[O-])[NH3+]

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)Br)C(=C1)SCC(C(=O)[O-])[NH3+]

InChI

InChI=1S/C13H13BrN2O2S/c1-7-4-12(19-6-10(15)13(17)18)9-5-8(14)2-3-11(9)16-7/h2-5,10H,6,15H2,1H3,(H,17,18)