N',N'-diethyl-N-(6-methoxy-4-methyl-quinolin-8-yl)hexane-1,6-diamine; 4-methylbenzenesulfonic acid

Systemtic Name: N',N'-diethyl-N-(6-methoxy-4-methyl-quinolin-8-yl)hexane-1,6-diamine; 4-methylbenzenesulfonic acid Openeye Name: N',N'-diethyl-N-(6-methoxy-4-methyl-8-quinolyl)hexane-1,6-diamine; 4-methylbenzenesulfonic acid CAS Name: N',N'-diethyl-N-(6-methoxy-4-methyl-8-quinolinyl)hexane-1,6-diamine; 4-methylbenzenesulfonic acid IUPAC Name: N',N'-diethyl-N-(6-methoxy-4-methylquinolin-8-yl)hexane-1,6-diamine; 4-methylbenzenesulfonic acid Traditional Name: diethyl-[6-[(6-methoxy-4-methyl-8-quinolyl)amino]hexyl]amine; tosylic acid Formula: C28H41N3O4S MolecularWeight: 515.70784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCCCCNC1=CC(=CC2=C(C=CN=C12)C)OC.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCN(CC)CCCCCCNC1=CC(=CC2=C(C=CN=C12)C)OC.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C21H33N3O.C7H8O3S/c1-5-24(6-2)14-10-8-7-9-12-22-20-16-18(25-4)15-19-17(3)11-13-23-21(19)20;1-6-2-4-7(5-3-6)11(8,9)10/h11,13,15-16,22H,5-10,12,14H2,1-4H3;2-5H,1H3,(H,8,9,10)