N-[3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-ium-1-yl]propyl]thiophene-2-carboxamide

Systemtic Name: N-[3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-ium-1-yl]propyl]thiophene-2-carboxamide Openeye Name: N-[3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-ium-1-yl]propyl]thiophene-2-carboxamide CAS Name: N-[3-[4-[4-(trifluoromethyl)-2-pyrimidinyl]-1-piperazin-1-iumyl]propyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-ium-1-yl]propyl]thiophene-2-carboxamide Traditional Name: N-[3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-ium-1-yl]propyl]thiophene-2-carboxamide Formula: C17H21F3N5OS+ MolecularWeight: 400.44175

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCNC(=O)C2=CC=CS2)C3=NC=CC(=N3)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CCCNC(=O)C2=CC=CS2)C3=NC=CC(=N3)C(F)(F)F

InChI

InChI=1S/C17H20F3N5OS/c18-17(19,20)14-4-6-22-16(23-14)25-10-8-24(9-11-25)7-2-5-21-15(26)13-3-1-12-27-13/h1,3-4,6,12H,2,5,7-11H2,(H,21,26)/p+1