3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propane-1-sulfonate

Systemtic Name: 3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propane-1-sulfonate Openeye Name: 3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propane-1-sulfonate CAS Name: 3-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-1-propanesulfonate IUPAC Name: 3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propane-1-sulfonate Traditional Name: 3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propane-1-sulfonate Formula: C13H19FN2O3S MolecularWeight: 302.364963

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCS(=O)(=O)[O-])C2=CC=C(C=C2)F

Isomeric SMILES

C1CN(CC[NH+]1CCCS(=O)(=O)[O-])C2=CC=C(C=C2)F

InChI

InChI=1S/C13H19FN2O3S/c14-12-2-4-13(5-3-12)16-9-7-15(8-10-16)6-1-11-20(17,18)19/h2-5H,1,6-11H2,(H,17,18,19)