N-[3-(4-thiomorpholin-4-ium-4-ylpiperidin-1-yl)phenyl]-3-(trifluoromethyl)benzamide

Systemtic Name: N-[3-(4-thiomorpholin-4-ium-4-ylpiperidin-1-yl)phenyl]-3-(trifluoromethyl)benzamide Openeye Name: N-[3-(4-thiomorpholin-4-ium-4-yl-1-piperidyl)phenyl]-3-(trifluoromethyl)benzamide CAS Name: N-[3-[4-(4-thiomorpholin-4-iumyl)-1-piperidinyl]phenyl]-3-(trifluoromethyl)benzamide IUPAC Name: N-[3-(4-thiomorpholin-4-ium-4-ylpiperidin-1-yl)phenyl]-3-(trifluoromethyl)benzamide Traditional Name: N-[3-(4-thiomorpholin-4-ium-4-ylpiperidino)phenyl]-3-(trifluoromethyl)benzamide Formula: C23H27F3N3OS+ MolecularWeight: 450.54019

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH+]2CCSCC2)C3=CC(=CC=C3)NC(=O)C4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCC1[NH+]2CCSCC2)C3=CC(=CC=C3)NC(=O)C4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C23H26F3N3OS/c24-23(25,26)18-4-1-3-17(15-18)22(30)27-19-5-2-6-21(16-19)28-9-7-20(8-10-28)29-11-13-31-14-12-29/h1-6,15-16,20H,7-14H2,(H,27,30)/p+1