(2S)-2-(2-pyrrolidin-1-ium-1-ylethyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carbothioamide

Systemtic Name: (2S)-2-(2-pyrrolidin-1-ium-1-ylethyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carbothioamide Openeye Name: (2S)-2-(2-pyrrolidin-1-ium-1-ylethyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carbothioamide CAS Name: (2S)-2-[2-(1-pyrrolidin-1-iumyl)ethyl]-N-[4-(trifluoromethyl)phenyl]-1-piperidinecarbothioamide IUPAC Name: (2S)-2-(2-pyrrolidin-1-ium-1-ylethyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carbothioamide Traditional Name: (2S)-2-(2-pyrrolidin-1-ium-1-ylethyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carbothioamide Formula: C19H27F3N3S+ MolecularWeight: 386.49799

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CC[NH+]2CCCC2)C(=S)NC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CCN([C@@H](C1)CC[NH+]2CCCC2)C(=S)NC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C19H26F3N3S/c20-19(21,22)15-6-8-16(9-7-15)23-18(26)25-13-2-1-5-17(25)10-14-24-11-3-4-12-24/h6-9,17H,1-5,10-14H2,(H,23,26)/p+1/t17-/m0/s1