1-[(2S)-butan-2-yl]-4-(4-fluorophenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(2S)-butan-2-yl]-4-(4-fluorophenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-(4-fluorophenyl)sulfonyl-4-[(1S)-1-methylpropyl]piperazin-4-ium CAS Name: 1-[(2S)-butan-2-yl]-4-(4-fluorophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(2S)-butan-2-yl]-4-(4-fluorophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(4-fluorophenyl)sulfonyl-4-[(1S)-1-methylpropyl]piperazin-4-ium Formula: C14H22FN2O2S+ MolecularWeight: 301.400083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC[C@H](C)[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C14H21FN2O2S/c1-3-12(2)16-8-10-17(11-9-16)20(18,19)14-6-4-13(15)5-7-14/h4-7,12H,3,8-11H2,1-2H3/p+1/t12-/m0/s1