2-[4-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]-N-pentan-3-yl-ethanamide

Systemtic Name: 2-[4-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]-N-pentan-3-yl-ethanamide Openeye Name: 2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]-N-(1-ethylpropyl)acetamide CAS Name: 2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-1-piperazin-1-iumyl]-N-pentan-3-ylacetamide IUPAC Name: 2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]-N-pentan-3-ylacetamide Traditional Name: 2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]-N-(1-ethylpropyl)acetamide Formula: C18H26ClF3N3O3S+ MolecularWeight: 456.93055

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25ClF3N3O3S/c1-3-13(4-2)23-17(26)12-24-7-9-25(10-8-24)29(27,28)14-5-6-16(19)15(11-14)18(20,21)22/h5-6,11,13H,3-4,7-10,12H2,1-2H3,(H,23,26)/p+1