N-(7-chloranylquinolin-4-yl)-N',N'-bis(2-chloroethyl)ethane-1,2-diamine hydrate dihydrochloride

Systemtic Name: N-(7-chloranylquinolin-4-yl)-N',N'-bis(2-chloroethyl)ethane-1,2-diamine hydrate dihydrochloride Openeye Name: N',N'-bis(2-chloroethyl)-N-(7-chloro-4-quinolyl)ethane-1,2-diamine hydrate dihydrochloride CAS Name: N',N'-bis(2-chloroethyl)-N-(7-chloro-4-quinolinyl)ethane-1,2-diamine hydrate dihydrochloride IUPAC Name: N',N'-bis(2-chloroethyl)-N-(7-chloroquinolin-4-yl)ethane-1,2-diamine hydrate dihydrochloride Traditional Name: bis(2-chloroethyl)-[2-[(7-chloro-4-quinolyl)amino]ethyl]amine hydrate dihydrochloride Formula: C15H22Cl5N3O MolecularWeight: 437.61968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2C=C1Cl)NCCN(CCCl)CCCl.O.Cl.Cl

Isomeric SMILES

C1=CC2=C(C=CN=C2C=C1Cl)NCCN(CCCl)CCCl.O.Cl.Cl

InChI

InChI=1S/C15H18Cl3N3.2ClH.H2O/c16-4-8-21(9-5-17)10-7-20-14-3-6-19-15-11-12(18)1-2-13(14)15;;;/h1-3,6,11H,4-5,7-10H2,(H,19,20);2*1H;1H2