N-hexyl-N'-(1-nitroacridin-9-yl)propane-1,3-diamine dihydrochloride

Systemtic Name: N-hexyl-N'-(1-nitroacridin-9-yl)propane-1,3-diamine dihydrochloride Openeye Name: N-hexyl-N'-(1-nitroacridin-9-yl)propane-1,3-diamine dihydrochloride CAS Name: N-hexyl-N'-(1-nitro-9-acridinyl)propane-1,3-diamine dihydrochloride IUPAC Name: N-hexyl-N'-(1-nitroacridin-9-yl)propane-1,3-diamine dihydrochloride Traditional Name: hexyl-[3-[(1-nitroacridin-9-yl)amino]propyl]amine dihydrochloride Formula: C22H30Cl2N4O2 MolecularWeight: 453.4052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNCCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-].Cl.Cl

Isomeric SMILES

CCCCCCNCCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-].Cl.Cl

InChI

InChI=1S/C22H28N4O2.2ClH/c1-2-3-4-7-14-23-15-9-16-24-22-17-10-5-6-11-18(17)25-19-12-8-13-20(21(19)22)26(27)28;;/h5-6,8,10-13,23H,2-4,7,9,14-16H2,1H3,(H,24,25);2*1H