N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]-2-(trifluoromethyl)benzamide

Systemtic Name: N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]-2-(trifluoromethyl)benzamide Openeye Name: N-[[1-(2-thienylmethyl)piperidin-1-ium-4-yl]methyl]-2-(trifluoromethyl)benzamide CAS Name: N-[[1-(thiophen-2-ylmethyl)-4-piperidin-1-iumyl]methyl]-2-(trifluoromethyl)benzamide IUPAC Name: N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]-2-(trifluoromethyl)benzamide Traditional Name: N-[[1-(2-thenyl)piperidin-1-ium-4-yl]methyl]-2-(trifluoromethyl)benzamide Formula: C19H22F3N2OS+ MolecularWeight: 383.45099

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CNC(=O)C2=CC=CC=C2C(F)(F)F)CC3=CC=CS3

Isomeric SMILES

C1C[NH+](CCC1CNC(=O)C2=CC=CC=C2C(F)(F)F)CC3=CC=CS3

InChI

InChI=1S/C19H21F3N2OS/c20-19(21,22)17-6-2-1-5-16(17)18(25)23-12-14-7-9-24(10-8-14)13-15-4-3-11-26-15/h1-6,11,14H,7-10,12-13H2,(H,23,25)/p+1