3-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: 3-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: 3-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propanamide CAS Name: 3-[4-[2-(trifluoromethyl)phenyl]sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: 3-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: 3-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propionamide Formula: C14H19F3N3O3S+ MolecularWeight: 366.37917

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)N)S(=O)(=O)C2=CC=CC=C2C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)N)S(=O)(=O)C2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C14H18F3N3O3S/c15-14(16,17)11-3-1-2-4-12(11)24(22,23)20-9-7-19(8-10-20)6-5-13(18)21/h1-4H,5-10H2,(H2,18,21)/p+1