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

Systemtic Name: 5-methyl-6-(4-nitrophenyl)phenanthridin-5-ium-3,8-diamine chloride Openeye Name: 5-methyl-6-(4-nitrophenyl)phenanthridin-5-ium-3,8-diamine chloride CAS Name: 5-methyl-6-(4-nitrophenyl)phenanthridin-5-ium-3,8-diamine chloride IUPAC Name: 5-methyl-6-(4-nitrophenyl)phenanthridin-5-ium-3,8-diamine chloride Traditional Name: [3-amino-5-methyl-6-(4-nitrophenyl)phenanthridin-5-ium-8-yl]amine chloride Formula: C20H17ClN4O2 MolecularWeight: 380.82758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N4O2.ClH/c1-23-19-11-14(22)5-9-17(19)16-8-4-13(21)10-18(16)20(23)12-2-6-15(7-3-12)24(25)26;/h2-11,22H,21H2,1H3;1H