(3R)-1-(4-ethylsulfonyl-2-nitro-phenyl)-3-methyl-piperazin-4-ium

Systemtic Name: (3R)-1-(4-ethylsulfonyl-2-nitro-phenyl)-3-methyl-piperazin-4-ium Openeye Name: (3R)-1-(4-ethylsulfonyl-2-nitro-phenyl)-3-methyl-piperazin-4-ium CAS Name: (3R)-1-(4-ethylsulfonyl-2-nitrophenyl)-3-methylpiperazin-4-ium IUPAC Name: (3R)-1-(4-ethylsulfonyl-2-nitrophenyl)-3-methylpiperazin-4-ium Traditional Name: (3R)-1-(4-esyl-2-nitro-phenyl)-3-methyl-piperazin-4-ium Formula: C13H20N3O4S+ MolecularWeight: 314.3806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC(=C(C=C1)N2CC[NH2+]C(C2)C)[N+](=O)[O-]

Isomeric SMILES

CCS(=O)(=O)C1=CC(=C(C=C1)N2CC[NH2+][C@@H](C2)C)[N+](=O)[O-]

InChI

InChI=1S/C13H19N3O4S/c1-3-21(19,20)11-4-5-12(13(8-11)16(17)18)15-7-6-14-10(2)9-15/h4-5,8,10,14H,3,6-7,9H2,1-2H3/p+1/t10-/m1/s1