1-[(4-chloranyl-3-nitro-phenyl)methyl]-4-methyl-piperazin-4-ium

Systemtic Name: 1-[(4-chloranyl-3-nitro-phenyl)methyl]-4-methyl-piperazin-4-ium Openeye Name: 1-[(4-chloro-3-nitro-phenyl)methyl]-4-methyl-piperazin-4-ium CAS Name: 1-[(4-chloro-3-nitrophenyl)methyl]-4-methylpiperazin-4-ium IUPAC Name: 1-[(4-chloro-3-nitrophenyl)methyl]-4-methylpiperazin-4-ium Traditional Name: 1-(4-chloro-3-nitro-benzyl)-4-methyl-piperazin-4-ium Formula: C12H17ClN3O2+ MolecularWeight: 270.73528

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

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