N-(5-chloranyl-2,4-dimethoxy-phenyl)-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-chloranyl-2,4-dimethoxy-phenyl)-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(5-chloro-2,4-dimethoxy-phenyl)-2-[4-(8-nitro-5-isoquinolyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(8-nitro-5-isoquinolinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(5-chloro-2,4-dimethoxy-phenyl)-2-[4-(8-nitro-5-isoquinolyl)piperazin-1-ium-1-yl]acetamide Formula: C23H25ClN5O5+ MolecularWeight: 486.9281

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C[NH+]2CCN(CC2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-])Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C[NH+]2CCN(CC2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-])Cl)OC

InChI

InChI=1S/C23H24ClN5O5/c1-33-21-12-22(34-2)18(11-17(21)24)26-23(30)14-27-7-9-28(10-8-27)19-3-4-20(29(31)32)16-13-25-6-5-15(16)19/h3-6,11-13H,7-10,14H2,1-2H3,(H,26,30)/p+1