8-butoxy-5-methyl-6-(4-nitrophenyl)phenanthridin-5-ium chloride

Systemtic Name: 8-butoxy-5-methyl-6-(4-nitrophenyl)phenanthridin-5-ium chloride Openeye Name: 8-butoxy-5-methyl-6-(4-nitrophenyl)phenanthridin-5-ium chloride CAS Name: 8-butoxy-5-methyl-6-(4-nitrophenyl)phenanthridin-5-ium chloride IUPAC Name: 8-butoxy-5-methyl-6-(4-nitrophenyl)phenanthridin-5-ium chloride Traditional Name: 8-butoxy-5-methyl-6-(4-nitrophenyl)phenanthridin-5-ium chloride Formula: C24H23ClN2O3 MolecularWeight: 422.90402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)C3=CC=CC=C3[N+](=C2C4=CC=C(C=C4)[N+](=O)[O-])C.[Cl-]

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)C3=CC=CC=C3[N+](=C2C4=CC=C(C=C4)[N+](=O)[O-])C.[Cl-]

InChI

InChI=1S/C24H23N2O3.ClH/c1-3-4-15-29-19-13-14-20-21-7-5-6-8-23(21)25(2)24(22(20)16-19)17-9-11-18(12-10-17)26(27)28;/h5-14,16H,3-4,15H2,1-2H3;1H/q+1;/p-1