N-[2-oxidanylidene-2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethyl]-4-(trifluoromethyl)benzamide

Systemtic Name: N-[2-oxidanylidene-2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethyl]-4-(trifluoromethyl)benzamide Openeye Name: N-[2-oxo-2-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]ethyl]-4-(trifluoromethyl)benzamide CAS Name: N-[2-oxo-2-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]ethyl]-4-(trifluoromethyl)benzamide IUPAC Name: N-[2-oxo-2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethyl]-4-(trifluoromethyl)benzamide Traditional Name: N-[2-keto-2-[4-(3-thenyl)piperazin-4-ium-1-yl]ethyl]-4-(trifluoromethyl)benzamide Formula: C19H21F3N3O2S+ MolecularWeight: 412.44915

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)CNC(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)CNC(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C19H20F3N3O2S/c20-19(21,22)16-3-1-15(2-4-16)18(27)23-11-17(26)25-8-6-24(7-9-25)12-14-5-10-28-13-14/h1-5,10,13H,6-9,11-12H2,(H,23,27)/p+1