N-[5-methyl-6-(2-nitrophenyl)phenanthridin-5-ium-8-yl]ethanamide; methyl sulfate

Systemtic Name: N-[5-methyl-6-(2-nitrophenyl)phenanthridin-5-ium-8-yl]ethanamide; methyl sulfate Openeye Name: N-[5-methyl-6-(2-nitrophenyl)phenanthridin-5-ium-8-yl]acetamide; methyl sulfate CAS Name: N-[5-methyl-6-(2-nitrophenyl)-8-phenanthridin-5-iumyl]acetamide; methyl sulfate IUPAC Name: N-[5-methyl-6-(2-nitrophenyl)phenanthridin-5-ium-8-yl]acetamide; methyl sulfate Traditional Name: N-[5-methyl-6-(2-nitrophenyl)phenanthridin-5-ium-8-yl]acetamide; methyl sulfate Formula: C23H21N3O7S MolecularWeight: 483.49374

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3[N+](=C2C4=CC=CC=C4[N+](=O)[O-])C.COS(=O)(=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3[N+](=C2C4=CC=CC=C4[N+](=O)[O-])C.COS(=O)(=O)[O-]

InChI

InChI=1S/C22H17N3O3.CH4O4S/c1-14(26)23-15-11-12-16-17-7-3-5-9-20(17)24(2)22(19(16)13-15)18-8-4-6-10-21(18)25(27)28;1-5-6(2,3)4/h3-13H,1-2H3;1H3,(H,2,3,4)