1,1-dimethyl-4-(3-nitrophenyl)piperazin-1-ium iodide

Systemtic Name: 1,1-dimethyl-4-(3-nitrophenyl)piperazin-1-ium iodide Openeye Name: 1,1-dimethyl-4-(3-nitrophenyl)piperazin-1-ium iodide CAS Name: 1,1-dimethyl-4-(3-nitrophenyl)piperazin-1-ium iodide IUPAC Name: 1,1-dimethyl-4-(3-nitrophenyl)piperazin-1-ium iodide Traditional Name: 1,1-dimethyl-4-(3-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(=CC=C2)[N+](=O)[O-])C.[I-]

Isomeric SMILES

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

InChI

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