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

Systemtic Name: 1-(2-fluorophenyl)sulfonyl-4-[(2-nitrophenyl)methyl]piperazin-4-ium Openeye Name: 1-(2-fluorophenyl)sulfonyl-4-[(2-nitrophenyl)methyl]piperazin-4-ium CAS Name: 1-(2-fluorophenyl)sulfonyl-4-[(2-nitrophenyl)methyl]piperazin-4-ium IUPAC Name: 1-(2-fluorophenyl)sulfonyl-4-[(2-nitrophenyl)methyl]piperazin-4-ium Traditional Name: 1-(2-fluorophenyl)sulfonyl-4-(2-nitrobenzyl)piperazin-4-ium Formula: C17H19FN3O4S+ MolecularWeight: 380.413863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3F

InChI

InChI=1S/C17H18FN3O4S/c18-15-6-2-4-8-17(15)26(24,25)20-11-9-19(10-12-20)13-14-5-1-3-7-16(14)21(22)23/h1-8H,9-13H2/p+1