2-[4-oxidanidyl-4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-4-ium-1-yl]ethanol

Systemtic Name: 2-[4-oxidanidyl-4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-4-ium-1-yl]ethanol Openeye Name: 2-[4-oxido-4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-4-ium-1-yl]ethanol CAS Name: 2-[4-oxido-4-[3-[2-(trifluoromethyl)-10-phenothiazinyl]propyl]-1-piperazin-4-iumyl]ethanol IUPAC Name: 2-[4-oxido-4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-4-ium-1-yl]ethanol Traditional Name: 2-[4-oxido-4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-4-ium-1-yl]ethanol Formula: C22H26F3N3O2S MolecularWeight: 453.52095

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1CCO)(CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)[O-]

Isomeric SMILES

C1C[N+](CCN1CCO)(CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)[O-]

InChI

InChI=1S/C22H26F3N3O2S/c23-22(24,25)17-6-7-21-19(16-17)27(18-4-1-2-5-20(18)31-21)8-3-12-28(30)13-9-26(10-14-28)11-15-29/h1-2,4-7,16,29H,3,8-15H2