N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]-3-(trifluoromethyl)benzamide

Systemtic Name: N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]-3-(trifluoromethyl)benzamide Openeye Name: N-[[1-(2-thienylmethyl)piperidin-1-ium-4-yl]methyl]-3-(trifluoromethyl)benzamide CAS Name: N-[[1-(thiophen-2-ylmethyl)-4-piperidin-1-iumyl]methyl]-3-(trifluoromethyl)benzamide IUPAC Name: N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]-3-(trifluoromethyl)benzamide Traditional Name: N-[[1-(2-thenyl)piperidin-1-ium-4-yl]methyl]-3-(trifluoromethyl)benzamide Formula: C19H22F3N2OS+ MolecularWeight: 383.45099

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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