1-(4-bromanyl-2-nitro-phenyl)-4-methyl-piperazin-4-ium

Systemtic Name: 1-(4-bromanyl-2-nitro-phenyl)-4-methyl-piperazin-4-ium Openeye Name: 1-(4-bromo-2-nitro-phenyl)-4-methyl-piperazin-4-ium CAS Name: 1-(4-bromo-2-nitrophenyl)-4-methylpiperazin-4-ium IUPAC Name: 1-(4-bromo-2-nitrophenyl)-4-methylpiperazin-4-ium Traditional Name: 1-(4-bromo-2-nitro-phenyl)-4-methyl-piperazin-4-ium Formula: C11H15BrN3O2+ MolecularWeight: 301.1597

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14BrN3O2/c1-13-4-6-14(7-5-13)10-3-2-9(12)8-11(10)15(16)17/h2-3,8H,4-7H2,1H3/p+1