N4-(7-chloranylquinolin-4-yl)-N1-ethyl-pentane-1,4-diamine; ethanedioic acid

Systemtic Name: N4-(7-chloranylquinolin-4-yl)-N1-ethyl-pentane-1,4-diamine; ethanedioic acid Openeye Name: N4-(7-chloro-4-quinolyl)-N1-ethyl-pentane-1,4-diamine; oxalic acid CAS Name: N4-(7-chloro-4-quinolinyl)-N1-ethylpentane-1,4-diamine; oxalic acid IUPAC Name: 4-N-(7-chloroquinolin-4-yl)-1-N-ethylpentane-1,4-diamine; oxalic acid Traditional Name: (7-chloro-4-quinolyl)-[4-(ethylamino)-1-methyl-butyl]amine; oxalic acid Formula: C38H50Cl2N6O12 MolecularWeight: 853.7426

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Descriptors Computed from Structure

Canonical SMILES:

CCNCCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl.CCNCCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCNCCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl.CCNCCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/2C16H22ClN3.3C2H2O4/c2*1-3-18-9-4-5-12(2)20-15-8-10-19-16-11-13(17)6-7-14(15)16;3*3-1(4)2(5)6/h2*6-8,10-12,18H,3-5,9H2,1-2H3,(H,19,20);3*(H,3,4)(H,5,6)