6-(3,5-dinitrophenyl)-8-methoxy-5-methyl-phenanthridin-5-ium chloride

Systemtic Name: 6-(3,5-dinitrophenyl)-8-methoxy-5-methyl-phenanthridin-5-ium chloride Openeye Name: 6-(3,5-dinitrophenyl)-8-methoxy-5-methyl-phenanthridin-5-ium chloride CAS Name: 6-(3,5-dinitrophenyl)-8-methoxy-5-methylphenanthridin-5-ium chloride IUPAC Name: 6-(3,5-dinitrophenyl)-8-methoxy-5-methylphenanthridin-5-ium chloride Traditional Name: 6-(3,5-dinitrophenyl)-8-methoxy-5-methyl-phenanthridin-5-ium chloride Formula: C21H16ClN3O5 MolecularWeight: 425.82184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N3O5.ClH/c1-22-20-6-4-3-5-18(20)17-8-7-16(29-2)12-19(17)21(22)13-9-14(23(25)26)11-15(10-13)24(27)28;/h3-12H,1-2H3;1H/q+1;/p-1