1-[2-(chloromethyl)-4-nitro-phenyl]-4-methyl-piperazin-4-ium

Systemtic Name: 1-[2-(chloromethyl)-4-nitro-phenyl]-4-methyl-piperazin-4-ium Openeye Name: 1-[2-(chloromethyl)-4-nitro-phenyl]-4-methyl-piperazin-4-ium CAS Name: 1-[2-(chloromethyl)-4-nitrophenyl]-4-methylpiperazin-4-ium IUPAC Name: 1-[2-(chloromethyl)-4-nitrophenyl]-4-methylpiperazin-4-ium Traditional Name: 1-[2-(chloromethyl)-4-nitro-phenyl]-4-methyl-piperazin-4-ium Formula: C12H17ClN3O2+ MolecularWeight: 270.73528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16ClN3O2/c1-14-4-6-15(7-5-14)12-3-2-11(16(17)18)8-10(12)9-13/h2-3,8H,4-7,9H2,1H3/p+1