N-[3-acetamido-5-methyl-6-(4-nitrophenyl)phenanthridin-5-ium-8-yl]ethanamide chloride

Systemtic Name: N-[3-acetamido-5-methyl-6-(4-nitrophenyl)phenanthridin-5-ium-8-yl]ethanamide chloride Openeye Name: N-[3-acetamido-5-methyl-6-(4-nitrophenyl)phenanthridin-5-ium-8-yl]acetamide chloride CAS Name: N-[3-acetamido-5-methyl-6-(4-nitrophenyl)-8-phenanthridin-5-iumyl]acetamide chloride IUPAC Name: N-[3-acetamido-5-methyl-6-(4-nitrophenyl)phenanthridin-5-ium-8-yl]acetamide chloride Traditional Name: N-[3-acetamido-5-methyl-6-(4-nitrophenyl)phenanthridin-5-ium-8-yl]acetamide chloride Formula: C24H21ClN4O4 MolecularWeight: 464.90094

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C([N+](=C3C=C(C=CC3=C2C=C1)NC(=O)C)C)C4=CC=C(C=C4)[N+](=O)[O-].[Cl-]

Isomeric SMILES

CC(=O)NC1=CC2=C([N+](=C3C=C(C=CC3=C2C=C1)NC(=O)C)C)C4=CC=C(C=C4)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C24H20N4O4.ClH/c1-14(29)25-17-6-10-20-21-11-7-18(26-15(2)30)13-23(21)27(3)24(22(20)12-17)16-4-8-19(9-5-16)28(31)32;/h4-13H,1-3H3,(H,25,29);1H