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

Systemtic Name: 1,1-dimethyl-4-(3-nitrophenyl)piperazin-1-ium bromide Openeye Name: 1,1-dimethyl-4-(3-nitrophenyl)piperazin-1-ium bromide CAS Name: 1,1-dimethyl-4-(3-nitrophenyl)piperazin-1-ium bromide IUPAC Name: 1,1-dimethyl-4-(3-nitrophenyl)piperazin-1-ium bromide Traditional Name: 1,1-dimethyl-4-(3-nitrophenyl)piperazin-1-ium bromide Formula: C12H18BrN3O2 MolecularWeight: 316.19422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N3O2.BrH/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