(1Z)-4-ethyl-1-[2-(trifluoromethyl)thioxanthen-9-ylidene]piperazin-1-ium-2-ol

Systemtic Name: (1Z)-4-ethyl-1-[2-(trifluoromethyl)thioxanthen-9-ylidene]piperazin-1-ium-2-ol Openeye Name: (1Z)-4-ethyl-1-[2-(trifluoromethyl)thioxanthen-9-ylidene]piperazin-1-ium-2-ol CAS Name: (1Z)-4-ethyl-1-[2-(trifluoromethyl)-9-thioxanthenylidene]-2-piperazin-1-iumol IUPAC Name: (1Z)-4-ethyl-1-[2-(trifluoromethyl)thioxanthen-9-ylidene]piperazin-1-ium-2-ol Traditional Name: (1Z)-4-ethyl-1-[2-(trifluoromethyl)thioxanthen-9-ylidene]piperazin-1-ium-2-ol Formula: C20H20F3N2OS+ MolecularWeight: 393.44581

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[N+](=C2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)C(C1)O

Isomeric SMILES

CCN1CC/[N+](=C/2\C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)/C(C1)O

InChI

InChI=1S/C20H20F3N2OS/c1-2-24-9-10-25(18(26)12-24)19-14-5-3-4-6-16(14)27-17-8-7-13(11-15(17)19)20(21,22)23/h3-8,11,18,26H,2,9-10,12H2,1H3/q+1/b25-19-