4-(2-pyridin-4-ylethyl)-N-[4-(trifluoromethyl)phenyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-(2-pyridin-4-ylethyl)-N-[4-(trifluoromethyl)phenyl]piperazin-4-ium-1-carbothioamide Openeye Name: 4-[2-(4-pyridyl)ethyl]-N-[4-(trifluoromethyl)phenyl]piperazin-4-ium-1-carbothioamide CAS Name: 4-(2-pyridin-4-ylethyl)-N-[4-(trifluoromethyl)phenyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-(2-pyridin-4-ylethyl)-N-[4-(trifluoromethyl)phenyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-[2-(4-pyridyl)ethyl]-N-[4-(trifluoromethyl)phenyl]piperazin-4-ium-1-carbothioamide Formula: C19H22F3N4S+ MolecularWeight: 395.46499

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=NC=C2)C(=S)NC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=NC=C2)C(=S)NC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C19H21F3N4S/c20-19(21,22)16-1-3-17(4-2-16)24-18(27)26-13-11-25(12-14-26)10-7-15-5-8-23-9-6-15/h1-6,8-9H,7,10-14H2,(H,24,27)/p+1