N,N'-bis(2-methyl-7-nitro-quinolin-4-yl)hexane-1,6-diamine dihydrochloride

Systemtic Name: N,N'-bis(2-methyl-7-nitro-quinolin-4-yl)hexane-1,6-diamine dihydrochloride Openeye Name: N,N'-bis(2-methyl-7-nitro-4-quinolyl)hexane-1,6-diamine dihydrochloride CAS Name: N,N'-bis(2-methyl-7-nitro-4-quinolinyl)hexane-1,6-diamine dihydrochloride IUPAC Name: N,N'-bis(2-methyl-7-nitroquinolin-4-yl)hexane-1,6-diamine dihydrochloride Traditional Name: (2-methyl-7-nitro-4-quinolyl)-[6-[(2-methyl-7-nitro-4-quinolyl)amino]hexyl]amine dihydrochloride Formula: C26H30Cl2N6O4 MolecularWeight: 561.4602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC(=C2)[N+](=O)[O-])C(=C1)NCCCCCCNC3=CC(=NC4=C3C=CC(=C4)[N+](=O)[O-])C.Cl.Cl

Isomeric SMILES

CC1=NC2=C(C=CC(=C2)[N+](=O)[O-])C(=C1)NCCCCCCNC3=CC(=NC4=C3C=CC(=C4)[N+](=O)[O-])C.Cl.Cl

InChI

InChI=1S/C26H28N6O4.2ClH/c1-17-13-23(21-9-7-19(31(33)34)15-25(21)29-17)27-11-5-3-4-6-12-28-24-14-18(2)30-26-16-20(32(35)36)8-10-22(24)26;;/h7-10,13-16H,3-6,11-12H2,1-2H3,(H,27,29)(H,28,30);2*1H