1-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanone Openeye Name: 2-(4-acetylpiperazin-1-ium-1-yl)-1-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]ethanone CAS Name: 2-(4-acetyl-1-piperazin-1-iumyl)-1-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-acetylpiperazin-1-ium-1-yl)-1-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-(4-acetylpiperazin-1-ium-1-yl)-1-[4-(4-chloro-2-nitro-phenyl)piperazino]ethanone Formula: C18H25ClN5O4+ MolecularWeight: 410.8752

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC(=O)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC(=O)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H24ClN5O4/c1-14(25)21-6-4-20(5-7-21)13-18(26)23-10-8-22(9-11-23)16-3-2-15(19)12-17(16)24(27)28/h2-3,12H,4-11,13H2,1H3/p+1