1-ethylsulfonyl-4-[(2-nitrophenyl)methyl]piperazin-4-ium

Systemtic Name: 1-ethylsulfonyl-4-[(2-nitrophenyl)methyl]piperazin-4-ium Openeye Name: 1-ethylsulfonyl-4-[(2-nitrophenyl)methyl]piperazin-4-ium CAS Name: 1-ethylsulfonyl-4-[(2-nitrophenyl)methyl]piperazin-4-ium IUPAC Name: 1-ethylsulfonyl-4-[(2-nitrophenyl)methyl]piperazin-4-ium Traditional Name: 1-esyl-4-(2-nitrobenzyl)piperazin-4-ium Formula: C13H20N3O4S+ MolecularWeight: 314.3806

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC[NH+](CC1)CC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCS(=O)(=O)N1CC[NH+](CC1)CC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C13H19N3O4S/c1-2-21(19,20)15-9-7-14(8-10-15)11-12-5-3-4-6-13(12)16(17)18/h3-6H,2,7-11H2,1H3/p+1