2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-[2-(trifluoromethyl)quinazolin-4-yl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-[2-(trifluoromethyl)quinazolin-4-yl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(3S)-1,1-dioxothiolan-3-yl]-[2-(trifluoromethyl)quinazolin-4-yl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3S)-1,1-dioxo-3-thiolanyl]-[2-(trifluoromethyl)-4-quinazolinyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(3S)-1,1-dioxothiolan-3-yl]-[2-(trifluoromethyl)quinazolin-4-yl]amino]ethyl-dimethylazanium Traditional Name: 2-[[(3S)-1,1-diketothiolan-3-yl]-[2-(trifluoromethyl)quinazolin-4-yl]amino]ethyl-dimethyl-ammonium Formula: C17H22F3N4O2S+ MolecularWeight: 403.44239

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(C1CCS(=O)(=O)C1)C2=NC(=NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

C[NH+](C)CCN([C@H]1CCS(=O)(=O)C1)C2=NC(=NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C17H21F3N4O2S/c1-23(2)8-9-24(12-7-10-27(25,26)11-12)15-13-5-3-4-6-14(13)21-16(22-15)17(18,19)20/h3-6,12H,7-11H2,1-2H3/p+1/t12-/m0/s1