3-methoxy-5-methyl-6-(4-nitrophenyl)phenanthridin-5-ium chloride

Systemtic Name: 3-methoxy-5-methyl-6-(4-nitrophenyl)phenanthridin-5-ium chloride Openeye Name: 3-methoxy-5-methyl-6-(4-nitrophenyl)phenanthridin-5-ium chloride CAS Name: 3-methoxy-5-methyl-6-(4-nitrophenyl)phenanthridin-5-ium chloride IUPAC Name: 3-methoxy-5-methyl-6-(4-nitrophenyl)phenanthridin-5-ium chloride Traditional Name: 3-methoxy-5-methyl-6-(4-nitrophenyl)phenanthridin-5-ium chloride Formula: C21H17ClN2O3 MolecularWeight: 380.82428

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C2=CC=CC=C2C3=C1C=C(C=C3)OC)C4=CC=C(C=C4)[N+](=O)[O-].[Cl-]

Isomeric SMILES

C[N+]1=C(C2=CC=CC=C2C3=C1C=C(C=C3)OC)C4=CC=C(C=C4)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C21H17N2O3.ClH/c1-22-20-13-16(26-2)11-12-18(20)17-5-3-4-6-19(17)21(22)14-7-9-15(10-8-14)23(24)25;/h3-13H,1-2H3;1H/q+1;/p-1