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

Systemtic Name: 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-4-ium-1-yl]ethanol Openeye Name: 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-4-ium-1-yl]ethanol CAS Name: 2-[4-[3-[2-(trifluoromethyl)-10-phenothiazinyl]propyl]-1-piperazin-4-iumyl]ethanol IUPAC Name: 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-4-ium-1-yl]ethanol Traditional Name: 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-4-ium-1-yl]ethanol Formula: C22H27F3N3OS+ MolecularWeight: 438.52949

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCO

Isomeric SMILES

C1CN(CC[NH+]1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCO

InChI

InChI=1S/C22H26F3N3OS/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29/h1-2,4-7,16,29H,3,8-15H2/p+1