N4-(7-chloranylquinolin-4-yl)-N1,N1-diethyl-pentane-1,4-diamine; 7-iodanyl-8-oxidanyl-quinoline-5-sulfonic acid

Systemtic Name: N4-(7-chloranylquinolin-4-yl)-N1,N1-diethyl-pentane-1,4-diamine; 7-iodanyl-8-oxidanyl-quinoline-5-sulfonic acid Openeye Name: N4-(7-chloro-4-quinolyl)-N1,N1-diethyl-pentane-1,4-diamine; 8-hydroxy-7-iodo-quinoline-5-sulfonic acid CAS Name: N4-(7-chloro-4-quinolinyl)-N1,N1-diethylpentane-1,4-diamine; 8-hydroxy-7-iodo-5-quinolinesulfonic acid IUPAC Name: 4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine; 8-hydroxy-7-iodoquinoline-5-sulfonic acid Traditional Name: 4-[(7-chloro-4-quinolyl)amino]pentyl-diethyl-amine; 8-hydroxy-7-iodo-quinoline-5-sulfonic acid Formula: C36H38ClI2N5O8S2 MolecularWeight: 1022.10756

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl.C1=CC2=C(C(=C(C=C2S(=O)(=O)O)I)O)N=C1.C1=CC2=C(C(=C(C=C2S(=O)(=O)O)I)O)N=C1

Isomeric SMILES

CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl.C1=CC2=C(C(=C(C=C2S(=O)(=O)O)I)O)N=C1.C1=CC2=C(C(=C(C=C2S(=O)(=O)O)I)O)N=C1

InChI

InChI=1S/C18H26ClN3.2C9H6INO4S/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*10-6-4-7(16(13,14)15)5-2-1-3-11-8(5)9(6)12/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21);2*1-4,12H,(H,13,14,15)