(8-azanyl-5-methyl-phenanthridin-5-ium-6-yl)-(4-nitrophenyl)methanone chloride

Systemtic Name: (8-azanyl-5-methyl-phenanthridin-5-ium-6-yl)-(4-nitrophenyl)methanone chloride Openeye Name: (8-amino-5-methyl-phenanthridin-5-ium-6-yl)-(4-nitrophenyl)methanone chloride CAS Name: (8-amino-5-methyl-6-phenanthridin-5-iumyl)-(4-nitrophenyl)methanone chloride IUPAC Name: (8-amino-5-methylphenanthridin-5-ium-6-yl)-(4-nitrophenyl)methanone chloride Traditional Name: (8-amino-5-methyl-phenanthridin-5-ium-6-yl)-(4-nitrophenyl)methanone chloride Formula: C21H16ClN3O3 MolecularWeight: 393.82304

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C2=C(C=CC(=C2)N)C3=CC=CC=C31)C(=O)C4=CC=C(C=C4)[N+](=O)[O-].[Cl-]

Isomeric SMILES

C[N+]1=C(C2=C(C=CC(=C2)N)C3=CC=CC=C31)C(=O)C4=CC=C(C=C4)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C21H15N3O3.ClH/c1-23-19-5-3-2-4-17(19)16-11-8-14(22)12-18(16)20(23)21(25)13-6-9-15(10-7-13)24(26)27;/h2-12H,1H3,(H-,22,25);1H