2-(6-bromanyl-3-phenyl-quinolin-2-yl)sulfanyl-N,N-dimethyl-ethanamine; ethanedioic acid

Systemtic Name: 2-(6-bromanyl-3-phenyl-quinolin-2-yl)sulfanyl-N,N-dimethyl-ethanamine; ethanedioic acid Openeye Name: 2-[(6-bromo-3-phenyl-2-quinolyl)sulfanyl]-N,N-dimethyl-ethanamine; oxalic acid CAS Name: 2-[(6-bromo-3-phenyl-2-quinolinyl)thio]-N,N-dimethylethanamine; oxalic acid IUPAC Name: 2-(6-bromo-3-phenylquinolin-2-yl)sulfanyl-N,N-dimethylethanamine; oxalic acid Traditional Name: 2-[(6-bromo-3-phenyl-2-quinolyl)thio]ethyl-dimethyl-amine; oxalic acid Formula: C21H21BrN2O4S MolecularWeight: 477.37144

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCSC1=C(C=C2C=C(C=CC2=N1)Br)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CN(C)CCSC1=C(C=C2C=C(C=CC2=N1)Br)C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H19BrN2S.C2H2O4/c1-22(2)10-11-23-19-17(14-6-4-3-5-7-14)13-15-12-16(20)8-9-18(15)21-19;3-1(4)2(5)6/h3-9,12-13H,10-11H2,1-2H3;(H,3,4)(H,5,6)