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

Systemtic Name: N,N-dimethyl-2-(3-phenyl-7-propoxy-quinolin-2-yl)sulfanyl-ethanamine; ethanedioic acid Openeye Name: N,N-dimethyl-2-[(3-phenyl-7-propoxy-2-quinolyl)sulfanyl]ethanamine; oxalic acid CAS Name: N,N-dimethyl-2-[(3-phenyl-7-propoxy-2-quinolinyl)thio]ethanamine; oxalic acid IUPAC Name: N,N-dimethyl-2-(3-phenyl-7-propoxyquinolin-2-yl)sulfanylethanamine; oxalic acid Traditional Name: dimethyl-[2-[(3-phenyl-7-propoxy-2-quinolyl)thio]ethyl]amine; oxalic acid Formula: C24H28N2O5S MolecularWeight: 456.55452

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC2=NC(=C(C=C2C=C1)C3=CC=CC=C3)SCCN(C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCCOC1=CC2=NC(=C(C=C2C=C1)C3=CC=CC=C3)SCCN(C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H26N2OS.C2H2O4/c1-4-13-25-19-11-10-18-15-20(17-8-6-5-7-9-17)22(23-21(18)16-19)26-14-12-24(2)3;3-1(4)2(5)6/h5-11,15-16H,4,12-14H2,1-3H3;(H,3,4)(H,5,6)