1-(3-fluorophenyl)sulfonyl-4-phenethyl-piperazin-4-ium

Systemtic Name: 1-(3-fluorophenyl)sulfonyl-4-phenethyl-piperazin-4-ium Openeye Name: 1-(3-fluorophenyl)sulfonyl-4-phenethyl-piperazin-4-ium CAS Name: 1-(3-fluorophenyl)sulfonyl-4-phenethylpiperazin-4-ium IUPAC Name: 1-(3-fluorophenyl)sulfonyl-4-phenethylpiperazin-4-ium Traditional Name: 1-(3-fluorophenyl)sulfonyl-4-phenethyl-piperazin-4-ium Formula: C18H22FN2O2S+ MolecularWeight: 349.442883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)F

InChI

InChI=1S/C18H21FN2O2S/c19-17-7-4-8-18(15-17)24(22,23)21-13-11-20(12-14-21)10-9-16-5-2-1-3-6-16/h1-8,15H,9-14H2/p+1