sulfanyl 2-(2-azanylethyl)quinoline-3-carboxylate hydrobromide

Systemtic Name: sulfanyl 2-(2-azanylethyl)quinoline-3-carboxylate hydrobromide Openeye Name: sulfanyl 2-(2-aminoethyl)quinoline-3-carboxylate hydrobromide CAS Name: 2-(2-aminoethyl)-3-quinolinecarboxylic acid mercapto ester hydrobromide IUPAC Name: sulfanyl 2-(2-aminoethyl)quinoline-3-carboxylate hydrobromide Traditional Name: 2-(2-aminoethyl)quinoline-3-carboxylic acid mercapto ester hydrobromide Formula: C12H13BrN2O2S MolecularWeight: 329.21282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=N2)CCN)C(=O)OS.Br

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=N2)CCN)C(=O)OS.Br

InChI

InChI=1S/C12H12N2O2S.BrH/c13-6-5-11-9(12(15)16-17)7-8-3-1-2-4-10(8)14-11;/h1-4,7,17H,5-6,13H2;1H