N,N-dimethyl-2-(7-methyl-3-phenyl-quinolin-2-yl)sulfanyl-ethanamine; ethanedioic acid

Systemtic Name: N,N-dimethyl-2-(7-methyl-3-phenyl-quinolin-2-yl)sulfanyl-ethanamine; ethanedioic acid Openeye Name: N,N-dimethyl-2-[(7-methyl-3-phenyl-2-quinolyl)sulfanyl]ethanamine; oxalic acid CAS Name: N,N-dimethyl-2-[(7-methyl-3-phenyl-2-quinolinyl)thio]ethanamine; oxalic acid IUPAC Name: N,N-dimethyl-2-(7-methyl-3-phenylquinolin-2-yl)sulfanylethanamine; oxalic acid Traditional Name: dimethyl-[2-[(7-methyl-3-phenyl-2-quinolyl)thio]ethyl]amine; oxalic acid Formula: C22H24N2O4S MolecularWeight: 412.50196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C=C1)C3=CC=CC=C3)SCCN(C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)C3=CC=CC=C3)SCCN(C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H22N2S.C2H2O4/c1-15-9-10-17-14-18(16-7-5-4-6-8-16)20(21-19(17)13-15)23-12-11-22(2)3;3-1(4)2(5)6/h4-10,13-14H,11-12H2,1-3H3;(H,3,4)(H,5,6)