2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone

Systemtic Name: 2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone Openeye Name: 2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone CAS Name: 2-[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]-1-[2-(trifluoromethyl)-10-phenothiazinyl]ethanone IUPAC Name: 2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone Traditional Name: 2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone Formula: C21H23F3N3O2S+ MolecularWeight: 438.48643

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCO

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCO

InChI

InChI=1S/C21H22F3N3O2S/c22-21(23,24)15-5-6-19-17(13-15)27(16-3-1-2-4-18(16)30-19)20(29)14-26-9-7-25(8-10-26)11-12-28/h1-6,13,28H,7-12,14H2/p+1