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

Systemtic Name: 2-[4-(phenylmethyl)piperazin-1-ium-1-yl]-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone Openeye Name: 2-(4-benzylpiperazin-1-ium-1-yl)-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone CAS Name: 2-[4-(phenylmethyl)-1-piperazin-1-iumyl]-1-[2-(trifluoromethyl)-10-phenothiazinyl]ethanone IUPAC Name: 2-(4-benzylpiperazin-1-ium-1-yl)-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone Traditional Name: 2-(4-benzylpiperazin-1-ium-1-yl)-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone Formula: C26H25F3N3OS+ MolecularWeight: 484.55641

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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)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CC5=CC=CC=C5

InChI

InChI=1S/C26H24F3N3OS/c27-26(28,29)20-10-11-24-22(16-20)32(21-8-4-5-9-23(21)34-24)25(33)18-31-14-12-30(13-15-31)17-19-6-2-1-3-7-19/h1-11,16H,12-15,17-18H2/p+1