4-[2-(2-dimethylaminoethylsulfanyl)quinolin-3-yl]benzoic acid hydrochloride

Systemtic Name: 4-[2-(2-dimethylaminoethylsulfanyl)quinolin-3-yl]benzoic acid hydrochloride Openeye Name: 4-[2-(2-dimethylaminoethylsulfanyl)-3-quinolyl]benzoic acid hydrochloride CAS Name: 4-[2-(2-dimethylaminoethylthio)-3-quinolinyl]benzoic acid hydrochloride IUPAC Name: 4-[2-(2-dimethylaminoethylsulfanyl)quinolin-3-yl]benzoic acid hydrochloride Traditional Name: 4-[2-(2-dimethylaminoethylthio)-3-quinolyl]benzoic acid hydrochloride Formula: C20H21ClN2O2S MolecularWeight: 388.91094

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCSC1=NC2=CC=CC=C2C=C1C3=CC=C(C=C3)C(=O)O.Cl

Isomeric SMILES

CN(C)CCSC1=NC2=CC=CC=C2C=C1C3=CC=C(C=C3)C(=O)O.Cl

InChI

InChI=1S/C20H20N2O2S.ClH/c1-22(2)11-12-25-19-17(13-16-5-3-4-6-18(16)21-19)14-7-9-15(10-8-14)20(23)24;/h3-10,13H,11-12H2,1-2H3,(H,23,24);1H