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

Systemtic Name: 1-(2-bromoethyl)-4-[3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-4-ium Openeye Name: 1-(2-bromoethyl)-4-[3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-4-ium CAS Name: 1-(2-bromoethyl)-4-[3-[2-(trifluoromethyl)-9-thioxanthenylidene]propyl]piperazin-4-ium IUPAC Name: 1-(2-bromoethyl)-4-[3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-4-ium Traditional Name: 1-(2-bromoethyl)-4-[3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-4-ium Formula: C23H25BrF3N2S+ MolecularWeight: 498.42221

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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)CCBr

Isomeric SMILES

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

InChI

InChI=1S/C23H24BrF3N2S/c24-9-11-29-14-12-28(13-15-29)10-3-5-18-19-4-1-2-6-21(19)30-22-8-7-17(16-20(18)22)23(25,26)27/h1-2,4-8,16H,3,9-15H2/p+1