1-(4-ethylsulfonyl-2-nitro-phenyl)piperazin-4-ium

Systemtic Name: 1-(4-ethylsulfonyl-2-nitro-phenyl)piperazin-4-ium Openeye Name: 1-(4-ethylsulfonyl-2-nitro-phenyl)piperazin-4-ium CAS Name: 1-(4-ethylsulfonyl-2-nitrophenyl)piperazin-4-ium IUPAC Name: 1-(4-ethylsulfonyl-2-nitrophenyl)piperazin-4-ium Traditional Name: 1-(4-esyl-2-nitro-phenyl)piperazin-4-ium Formula: C12H18N3O4S+ MolecularWeight: 300.35402

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC(=C(C=C1)N2CC[NH2+]CC2)[N+](=O)[O-]

Isomeric SMILES

CCS(=O)(=O)C1=CC(=C(C=C1)N2CC[NH2+]CC2)[N+](=O)[O-]

InChI

InChI=1S/C12H17N3O4S/c1-2-20(18,19)10-3-4-11(12(9-10)15(16)17)14-7-5-13-6-8-14/h3-4,9,13H,2,5-8H2,1H3/p+1