1-methyl-4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-ium

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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