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

Systemtic Name: 5-methyl-6-(4-nitrophenyl)phenanthridin-5-ium-3,8-diamine Openeye Name: 5-methyl-6-(4-nitrophenyl)phenanthridin-5-ium-3,8-diamine CAS Name: 5-methyl-6-(4-nitrophenyl)phenanthridin-5-ium-3,8-diamine IUPAC Name: 5-methyl-6-(4-nitrophenyl)phenanthridin-5-ium-3,8-diamine Traditional Name: [3-amino-5-methyl-6-(4-nitrophenyl)phenanthridin-5-ium-8-yl]amine Formula: C20H17N4O2+ MolecularWeight: 345.37458

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N4O2/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/p+1