1-(3-nitro-4-piperazin-4-ium-1-yl-phenyl)ethanone

Systemtic Name: 1-(3-nitro-4-piperazin-4-ium-1-yl-phenyl)ethanone Openeye Name: 1-(3-nitro-4-piperazin-4-ium-1-yl-phenyl)ethanone CAS Name: 1-[3-nitro-4-(1-piperazin-4-iumyl)phenyl]ethanone IUPAC Name: 1-(3-nitro-4-piperazin-4-ium-1-ylphenyl)ethanone Traditional Name: 1-(3-nitro-4-piperazin-4-ium-1-yl-phenyl)ethanone Formula: C12H16N3O3+ MolecularWeight: 250.27374

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CC[NH2+]CC2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CC[NH2+]CC2)[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O3/c1-9(16)10-2-3-11(12(8-10)15(17)18)14-6-4-13-5-7-14/h2-3,8,13H,4-7H2,1H3/p+1