3-nitro-4-piperazin-4-ium-1-yl-benzamide

Systemtic Name: 3-nitro-4-piperazin-4-ium-1-yl-benzamide Openeye Name: 3-nitro-4-piperazin-4-ium-1-yl-benzamide CAS Name: 3-nitro-4-(1-piperazin-4-iumyl)benzamide IUPAC Name: 3-nitro-4-piperazin-4-ium-1-ylbenzamide Traditional Name: 3-nitro-4-piperazin-4-ium-1-yl-benzamide Formula: C11H15N4O3+ MolecularWeight: 251.2618

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH2+]1)C2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C11H14N4O3/c12-11(16)8-1-2-9(10(7-8)15(17)18)14-5-3-13-4-6-14/h1-2,7,13H,3-6H2,(H2,12,16)/p+1