N-[3-(2-diethylaminoethylsulfanyl)propyl]-6-methoxy-quinolin-8-amine; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: N-[3-(2-diethylaminoethylsulfanyl)propyl]-6-methoxy-quinolin-8-amine; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; N-[3-(2-diethylaminoethylsulfanyl)propyl]-6-methoxy-quinolin-8-amine CAS Name: N-[3-(2-diethylaminoethylthio)propyl]-6-methoxy-8-quinolinamine; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: N-[3-(2-diethylaminoethylsulfanyl)propyl]-6-methoxyquinolin-8-amine; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: citric acid; diethyl-[2-[3-[(6-methoxy-8-quinolyl)amino]propylthio]ethyl]amine Formula: C25H37N3O8S MolecularWeight: 539.64158

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCSCCCNC1=C2C(=CC(=C1)OC)C=CC=N2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCN(CC)CCSCCCNC1=C2C(=CC(=C1)OC)C=CC=N2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C19H29N3OS.C6H8O7/c1-4-22(5-2)11-13-24-12-7-10-20-18-15-17(23-3)14-16-8-6-9-21-19(16)18;7-3(8)1-6(13,5(11)12)2-4(9)10/h6,8-9,14-15,20H,4-5,7,10-13H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)