phenyl 2-[4-[(2-fluorophenyl)methyl]piperazin-1-ium-1-yl]ethanesulfonate

Systemtic Name: phenyl 2-[4-[(2-fluorophenyl)methyl]piperazin-1-ium-1-yl]ethanesulfonate Openeye Name: phenyl 2-[4-[(2-fluorophenyl)methyl]piperazin-1-ium-1-yl]ethanesulfonate CAS Name: 2-[4-[(2-fluorophenyl)methyl]-1-piperazin-1-iumyl]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[4-[(2-fluorophenyl)methyl]piperazin-1-ium-1-yl]ethanesulfonate Traditional Name: 2-[4-(2-fluorobenzyl)piperazin-1-ium-1-yl]ethanesulfonic acid phenyl ester Formula: C19H24FN2O3S+ MolecularWeight: 379.468863

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCS(=O)(=O)OC2=CC=CC=C2)CC3=CC=CC=C3F

Isomeric SMILES

C1CN(CC[NH+]1CCS(=O)(=O)OC2=CC=CC=C2)CC3=CC=CC=C3F

InChI

InChI=1S/C19H23FN2O3S/c20-19-9-5-4-6-17(19)16-22-12-10-21(11-13-22)14-15-26(23,24)25-18-7-2-1-3-8-18/h1-9H,10-16H2/p+1