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

Systemtic Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone Openeye Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone CAS Name: 2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]-1-[2-(trifluoromethyl)-10-phenothiazinyl]ethanone IUPAC Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone Traditional Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone Formula: C24H23F3N4OS+2 MolecularWeight: 472.52583

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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)C5=CC=CC=[NH+]5

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)C5=CC=CC=[NH+]5

InChI

InChI=1S/C24H21F3N4OS/c25-24(26,27)17-8-9-21-19(15-17)31(18-5-1-2-6-20(18)33-21)23(32)16-29-11-13-30(14-12-29)22-7-3-4-10-28-22/h1-10,15H,11-14,16H2/p+2