N-(2-nitro-5-piperazin-4-ium-1-yl-phenyl)ethanamide

Systemtic Name: N-(2-nitro-5-piperazin-4-ium-1-yl-phenyl)ethanamide Openeye Name: N-(2-nitro-5-piperazin-4-ium-1-yl-phenyl)acetamide CAS Name: N-[2-nitro-5-(1-piperazin-4-iumyl)phenyl]acetamide IUPAC Name: N-(2-nitro-5-piperazin-4-ium-1-ylphenyl)acetamide Traditional Name: N-(2-nitro-5-piperazin-4-ium-1-yl-phenyl)acetamide Formula: C12H17N4O3+ MolecularWeight: 265.28838

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)N2CC[NH2+]CC2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)N2CC[NH2+]CC2)[N+](=O)[O-]

InChI

InChI=1S/C12H16N4O3/c1-9(17)14-11-8-10(2-3-12(11)16(18)19)15-6-4-13-5-7-15/h2-3,8,13H,4-7H2,1H3,(H,14,17)/p+1