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

Systemtic Name: 5-ethyl-6-(4-nitrophenyl)phenanthridin-5-ium-3,8-diamine chloride Openeye Name: 5-ethyl-6-(4-nitrophenyl)phenanthridin-5-ium-3,8-diamine chloride CAS Name: 5-ethyl-6-(4-nitrophenyl)phenanthridin-5-ium-3,8-diamine chloride IUPAC Name: 5-ethyl-6-(4-nitrophenyl)phenanthridin-5-ium-3,8-diamine chloride Traditional Name: [3-amino-5-ethyl-6-(4-nitrophenyl)phenanthridin-5-ium-8-yl]amine chloride Formula: C21H19ClN4O2 MolecularWeight: 394.85416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O2.ClH/c1-2-24-20-12-15(23)6-10-18(20)17-9-5-14(22)11-19(17)21(24)13-3-7-16(8-4-13)25(26)27;/h3-12,23H,2,22H2,1H3;1H