2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-N-(4-methyl-3-nitro-phenyl)ethanamide

Systemtic Name: 2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-N-(4-methyl-3-nitro-phenyl)ethanamide Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(4-methyl-3-nitro-phenyl)acetamide CAS Name: 2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-N-(4-methyl-3-nitrophenyl)acetamide IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(4-methyl-3-nitrophenyl)acetamide Traditional Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(4-methyl-3-nitro-phenyl)acetamide Formula: C21H25N4O4+ MolecularWeight: 397.4476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O4/c1-15-3-6-18(13-20(15)25(28)29)22-21(27)14-23-9-11-24(12-10-23)19-7-4-17(5-8-19)16(2)26/h3-8,13H,9-12,14H2,1-2H3,(H,22,27)/p+1