4-[[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]methyl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]methyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[[4-(4-acetylphenyl)-1-piperazin-1-iumyl]methyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]-2-methoxy-6-nitro-phenolate Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC(=C(C(=C3)OC)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC(=C(C(=C3)OC)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5/c1-14(24)16-3-5-17(6-4-16)22-9-7-21(8-10-22)13-15-11-18(23(26)27)20(25)19(12-15)28-2/h3-6,11-12,25H,7-10,13H2,1-2H3