3-piperidin-1-ium-1-yl-1-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-one

Systemtic Name: 3-piperidin-1-ium-1-yl-1-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-one Openeye Name: 3-piperidin-1-ium-1-yl-1-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-one CAS Name: 3-(1-piperidin-1-iumyl)-1-[2-(trifluoromethyl)-10-phenothiazinyl]-1-propanone IUPAC Name: 3-piperidin-1-ium-1-yl-1-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-one Traditional Name: 3-piperidin-1-ium-1-yl-1-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-one Formula: C21H22F3N2OS+ MolecularWeight: 407.47239

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CC[NH+](CC1)CCC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F

InChI

InChI=1S/C21H21F3N2OS/c22-21(23,24)15-8-9-19-17(14-15)26(16-6-2-3-7-18(16)28-19)20(27)10-13-25-11-4-1-5-12-25/h2-3,6-9,14H,1,4-5,10-13H2/p+1