(4-pyridin-1-ium-2-ylpiperazin-1-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanone

Systemtic Name: (4-pyridin-1-ium-2-ylpiperazin-1-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanone Openeye Name: (4-pyridin-1-ium-2-ylpiperazin-1-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanone CAS Name: [4-(2-pyridin-1-iumyl)-1-piperazinyl]-[4-(trifluoromethylthio)phenyl]methanone IUPAC Name: (4-pyridin-1-ium-2-ylpiperazin-1-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanone Traditional Name: (4-pyridin-1-ium-2-ylpiperazino)-[4-(trifluoromethylthio)phenyl]methanone Formula: C17H17F3N3OS+ MolecularWeight: 368.39659

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC=C(C=C3)SC(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC=C(C=C3)SC(F)(F)F

InChI

InChI=1S/C17H16F3N3OS/c18-17(19,20)25-14-6-4-13(5-7-14)16(24)23-11-9-22(10-12-23)15-3-1-2-8-21-15/h1-8H,9-12H2/p+1