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

Systemtic Name: 1-[(4-chloranyl-3-nitro-phenyl)methyl]-4-ethyl-piperazin-4-ium Openeye Name: 1-[(4-chloro-3-nitro-phenyl)methyl]-4-ethyl-piperazin-4-ium CAS Name: 1-[(4-chloro-3-nitrophenyl)methyl]-4-ethylpiperazin-4-ium IUPAC Name: 1-[(4-chloro-3-nitrophenyl)methyl]-4-ethylpiperazin-4-ium Traditional Name: 1-(4-chloro-3-nitro-benzyl)-4-ethyl-piperazin-4-ium Formula: C13H19ClN3O2+ MolecularWeight: 284.76186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18ClN3O2/c1-2-15-5-7-16(8-6-15)10-11-3-4-12(14)13(9-11)17(18)19/h3-4,9H,2,5-8,10H2,1H3/p+1