(2S)-N-ethyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-ethyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-ethyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-ethyl-2-[4-(3-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-ethyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-ethyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propionamide Formula: C15H23FN3O3S+ MolecularWeight: 344.424823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22FN3O3S/c1-3-17-15(20)12(2)18-7-9-19(10-8-18)23(21,22)14-6-4-5-13(16)11-14/h4-6,11-12H,3,7-10H2,1-2H3,(H,17,20)/p+1/t12-/m0/s1