[3-(ethylsulfanylmethyl)phenyl]-[4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone

Systemtic Name: [3-(ethylsulfanylmethyl)phenyl]-[4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone Openeye Name: [3-(ethylsulfanylmethyl)phenyl]-[4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone CAS Name: [3-[(ethylthio)methyl]phenyl]-[4-[3-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]methanone IUPAC Name: [3-(ethylsulfanylmethyl)phenyl]-[4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone Traditional Name: [3-[(ethylthio)methyl]phenyl]-[4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]methanone Formula: C20H23F3N3OS+ MolecularWeight: 410.47633

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=C(C=CC=[NH+]3)C(F)(F)F

Isomeric SMILES

CCSCC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=C(C=CC=[NH+]3)C(F)(F)F

InChI

InChI=1S/C20H22F3N3OS/c1-2-28-14-15-5-3-6-16(13-15)19(27)26-11-9-25(10-12-26)18-17(20(21,22)23)7-4-8-24-18/h3-8,13H,2,9-12,14H2,1H3/p+1