N-[(1R,2R)-1-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-thiophen-2-yl-propan-2-yl]ethanesulfonamide

Systemtic Name: N-[(1R,2R)-1-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-thiophen-2-yl-propan-2-yl]ethanesulfonamide Openeye Name: N-[(1R,2R)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-methyl-2-(2-thienyl)ethyl]ethanesulfonamide CAS Name: N-[(1R,2R)-1-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-1-thiophen-2-ylpropan-2-yl]ethanesulfonamide IUPAC Name: N-[(1R,2R)-1-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-thiophen-2-ylpropan-2-yl]ethanesulfonamide Traditional Name: N-[(1R,2R)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-methyl-2-(2-thienyl)ethyl]ethanesulfonamide Formula: C19H27FN3O2S2+ MolecularWeight: 412.564983

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NC(C)C(C1=CC=CS1)[NH+]2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

CCS(=O)(=O)N[C@H](C)[C@H](C1=CC=CS1)[NH+]2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H26FN3O2S2/c1-3-27(24,25)21-15(2)19(18-5-4-14-26-18)23-12-10-22(11-13-23)17-8-6-16(20)7-9-17/h4-9,14-15,19,21H,3,10-13H2,1-2H3/p+1/t15-,19-/m1/s1