N-[3-[bis(fluoranyl)methoxy]phenyl]-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-[3-[bis(fluoranyl)methoxy]phenyl]-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Openeye Name: N-[3-(difluoromethoxy)phenyl]-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide CAS Name: N-[3-(difluoromethoxy)phenyl]-4-(2-pyridin-1-iumyl)-1-piperazinecarbothioamide IUPAC Name: N-[3-(difluoromethoxy)phenyl]-4-pyridin-1-ium-2-ylpiperazine-1-carbothioamide Traditional Name: N-[3-(difluoromethoxy)phenyl]-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Formula: C17H19F2N4OS+ MolecularWeight: 365.420766

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=S)NC3=CC(=CC=C3)OC(F)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=S)NC3=CC(=CC=C3)OC(F)F

InChI

InChI=1S/C17H18F2N4OS/c18-16(19)24-14-5-3-4-13(12-14)21-17(25)23-10-8-22(9-11-23)15-6-1-2-7-20-15/h1-7,12,16H,8-11H2,(H,21,25)/p+1