2-[[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]methyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[[4-(4-acetylphenyl)-1-piperazin-1-iumyl]methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]-4-nitro-isoindoline-1,3-quinone Formula: C21H21N4O5+ MolecularWeight: 409.41524

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O5/c1-14(26)15-5-7-16(8-6-15)23-11-9-22(10-12-23)13-24-20(27)17-3-2-4-18(25(29)30)19(17)21(24)28/h2-8H,9-13H2,1H3/p+1