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

Systemtic Name: 4-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]butane-1-sulfonate Openeye Name: 4-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]butane-1-sulfonate CAS Name: 4-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-1-butanesulfonate IUPAC Name: 4-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]butane-1-sulfonate Traditional Name: 4-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]butane-1-sulfonate Formula: C14H21FN2O3S MolecularWeight: 316.391543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21FN2O3S/c15-13-3-5-14(6-4-13)17-10-8-16(9-11-17)7-1-2-12-21(18,19)20/h3-6H,1-2,7-12H2,(H,18,19,20)