2-(3-butylquinolin-2-yl)sulfanyl-N-methyl-ethanamine; ethanedioic acid

Systemtic Name: 2-(3-butylquinolin-2-yl)sulfanyl-N-methyl-ethanamine; ethanedioic acid Openeye Name: 2-[(3-butyl-2-quinolyl)sulfanyl]-N-methyl-ethanamine; oxalic acid CAS Name: 2-[(3-butyl-2-quinolinyl)thio]-N-methylethanamine; oxalic acid IUPAC Name: 2-(3-butylquinolin-2-yl)sulfanyl-N-methylethanamine; oxalic acid Traditional Name: 2-[(3-butyl-2-quinolyl)thio]ethyl-methyl-amine; oxalic acid Formula: C18H24N2O4S MolecularWeight: 364.45916

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC=CC=C2N=C1SCCNC.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCC1=CC2=CC=CC=C2N=C1SCCNC.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H22N2S.C2H2O4/c1-3-4-7-14-12-13-8-5-6-9-15(13)18-16(14)19-11-10-17-2;3-1(4)2(5)6/h5-6,8-9,12,17H,3-4,7,10-11H2,1-2H3;(H,3,4)(H,5,6)