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

Systemtic Name: 2-(4-methylpiperazin-1-ium-1-yl)-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone Openeye Name: 2-(4-methylpiperazin-1-ium-1-yl)-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone CAS Name: 2-(4-methyl-1-piperazin-1-iumyl)-1-[2-(trifluoromethyl)-10-phenothiazinyl]ethanone IUPAC Name: 2-(4-methylpiperazin-1-ium-1-yl)-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone Traditional Name: 2-(4-methylpiperazin-1-ium-1-yl)-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone Formula: C20H21F3N3OS+ MolecularWeight: 408.46045

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)CC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F

Isomeric SMILES

CN1CC[NH+](CC1)CC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F

InChI

InChI=1S/C20H20F3N3OS/c1-24-8-10-25(11-9-24)13-19(27)26-15-4-2-3-5-17(15)28-18-7-6-14(12-16(18)26)20(21,22)23/h2-7,12H,8-11,13H2,1H3/p+1