6-(4-nitrophenyl)-5-propyl-phenanthridin-5-ium-3,8-diamine chloride

Systemtic Name: 6-(4-nitrophenyl)-5-propyl-phenanthridin-5-ium-3,8-diamine chloride Openeye Name: 6-(4-nitrophenyl)-5-propyl-phenanthridin-5-ium-3,8-diamine chloride CAS Name: 6-(4-nitrophenyl)-5-propylphenanthridin-5-ium-3,8-diamine chloride IUPAC Name: 6-(4-nitrophenyl)-5-propylphenanthridin-5-ium-3,8-diamine chloride Traditional Name: [3-amino-6-(4-nitrophenyl)-5-propyl-phenanthridin-5-ium-8-yl]amine chloride Formula: C22H21ClN4O2 MolecularWeight: 408.88074

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=C(C=C4)[N+](=O)[O-])N)N.[Cl-]

Isomeric SMILES

CCC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=C(C=C4)[N+](=O)[O-])N)N.[Cl-]

InChI

InChI=1S/C22H20N4O2.ClH/c1-2-11-25-21-13-16(24)6-10-19(21)18-9-5-15(23)12-20(18)22(25)14-3-7-17(8-4-14)26(27)28;/h3-10,12-13,24H,2,11,23H2,1H3;1H