N4-(7-chloranylquinolin-4-yl)-N1,N1-diethyl-pentane-1,4-diamine; sulfuric acid

Systemtic Name: N4-(7-chloranylquinolin-4-yl)-N1,N1-diethyl-pentane-1,4-diamine; sulfuric acid Openeye Name: N4-(7-chloro-4-quinolyl)-N1,N1-diethyl-pentane-1,4-diamine; sulfuric acid CAS Name: N4-(7-chloro-4-quinolinyl)-N1,N1-diethylpentane-1,4-diamine; sulfuric acid IUPAC Name: 4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine; sulfuric acid Traditional Name: 4-[(7-chloro-4-quinolyl)amino]pentyl-diethyl-amine; sulfuric acid Formula: C18H30ClN3O8S2 MolecularWeight: 516.0291

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl.OS(=O)(=O)O.OS(=O)(=O)O

Isomeric SMILES

CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl.OS(=O)(=O)O.OS(=O)(=O)O

InChI

InChI=1S/C18H26ClN3.2H2O4S/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18;2*1-5(2,3)4/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21);2*(H2,1,2,3,4)