2-[4-[3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-4-ium-1-yl]ethanol

Systemtic Name: 2-[4-[3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-4-ium-1-yl]ethanol Openeye Name: 2-[4-[3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-4-ium-1-yl]ethanol CAS Name: 2-[4-[3-[2-(trifluoromethyl)-9-thioxanthenylidene]propyl]-1-piperazin-4-iumyl]ethanol IUPAC Name: 2-[4-[3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-4-ium-1-yl]ethanol Traditional Name: 2-[4-[3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-4-ium-1-yl]ethanol Formula: C23H26F3N2OS+ MolecularWeight: 435.52555

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCO

Isomeric SMILES

C1CN(CC[NH+]1CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCO

InChI

InChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2/p+1