ethanesulfonate; N-(5-methyl-3-nitro-6-phenyl-phenanthridin-5-ium-8-yl)ethanamide

Systemtic Name: ethanesulfonate; N-(5-methyl-3-nitro-6-phenyl-phenanthridin-5-ium-8-yl)ethanamide Openeye Name: ethanesulfonate; N-(5-methyl-3-nitro-6-phenyl-phenanthridin-5-ium-8-yl)acetamide CAS Name: ethanesulfonate; N-(5-methyl-3-nitro-6-phenyl-8-phenanthridin-5-iumyl)acetamide IUPAC Name: ethanesulfonate; N-(5-methyl-3-nitro-6-phenylphenanthridin-5-ium-8-yl)acetamide Traditional Name: N-(5-methyl-3-nitro-6-phenyl-phenanthridin-5-ium-8-yl)acetamide esylate Formula: C24H23N3O6S MolecularWeight: 481.52092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17N3O3.C2H6O3S/c1-14(26)23-16-8-10-18-19-11-9-17(25(27)28)13-21(19)24(2)22(20(18)12-16)15-6-4-3-5-7-15;1-2-6(3,4)5/h3-13H,1-2H3;2H2,1H3,(H,3,4,5)