4-(thiophen-2-ylmethyl)-N-[[4-(trifluoromethyloxy)phenyl]methyl]piperazin-4-ium-1-carboxamide

Systemtic Name: 4-(thiophen-2-ylmethyl)-N-[[4-(trifluoromethyloxy)phenyl]methyl]piperazin-4-ium-1-carboxamide Openeye Name: 4-(2-thienylmethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-4-ium-1-carboxamide CAS Name: 4-(thiophen-2-ylmethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-(thiophen-2-ylmethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-4-ium-1-carboxamide Traditional Name: 4-(2-thenyl)-N-[4-(trifluoromethoxy)benzyl]piperazin-4-ium-1-carboxamide Formula: C18H21F3N3O2S+ MolecularWeight: 400.43845

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)NCC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)NCC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C18H20F3N3O2S/c19-18(20,21)26-15-5-3-14(4-6-15)12-22-17(25)24-9-7-23(8-10-24)13-16-2-1-11-27-16/h1-6,11H,7-10,12-13H2,(H,22,25)/p+1