(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propan-1-one

Systemtic Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propan-1-one Openeye Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propan-1-one CAS Name: (2S)-1-(4-ethyl-1-piperazin-4-iumyl)-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]-1-propanone IUPAC Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropan-1-one Traditional Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]propan-1-one Formula: C18H22F3N4OS+ MolecularWeight: 399.45369

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C(C)SC2=NC(=NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)[C@H](C)SC2=NC(=NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C18H21F3N4OS/c1-3-24-8-10-25(11-9-24)16(26)12(2)27-15-13-6-4-5-7-14(13)22-17(23-15)18(19,20)21/h4-7,12H,3,8-11H2,1-2H3/p+1/t12-/m0/s1