2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(5-methoxy-2-methyl-4-nitro-phenyl)ethanamide

Systemtic Name: 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(5-methoxy-2-methyl-4-nitro-phenyl)ethanamide Openeye Name: 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(5-methoxy-2-methyl-4-nitro-phenyl)acetamide CAS Name: 2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide IUPAC Name: 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide Traditional Name: 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(5-methoxy-2-methyl-4-nitro-phenyl)acetamide Formula: C20H25N4O5+ MolecularWeight: 401.4363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3O)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O5/c1-14-11-17(24(27)28)19(29-2)12-15(14)21-20(26)13-22-7-9-23(10-8-22)16-5-3-4-6-18(16)25/h3-6,11-12,25H,7-10,13H2,1-2H3,(H,21,26)/p+1