1,1-dimethyl-4-(4-nitrophenyl)piperazin-1-ium iodide

Systemtic Name: 1,1-dimethyl-4-(4-nitrophenyl)piperazin-1-ium iodide Openeye Name: 1,1-dimethyl-4-(4-nitrophenyl)piperazin-1-ium iodide CAS Name: 1,1-dimethyl-4-(4-nitrophenyl)piperazin-1-ium iodide IUPAC Name: 1,1-dimethyl-4-(4-nitrophenyl)piperazin-1-ium iodide Traditional Name: 1,1-dimethyl-4-(4-nitrophenyl)piperazin-1-ium iodide Formula: C12H18IN3O2 MolecularWeight: 363.19469

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-])C.[I-]

Isomeric SMILES

C[N+]1(CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-])C.[I-]

InChI

InChI=1S/C12H18N3O2.HI/c1-15(2)9-7-13(8-10-15)11-3-5-12(6-4-11)14(16)17;/h3-6H,7-10H2,1-2H3;1H/q+1;/p-1