3-[2-[(2R)-1-(4-fluorophenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[2-[(2R)-1-(4-fluorophenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl-dimethyl-azanium Openeye Name: 3-[2-[(1R)-2-(4-fluorophenyl)-1-methyl-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]propyl-dimethyl-ammonium CAS Name: 3-[2-[[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl]thio]-4-oxo-3-quinazolinyl]propyl-dimethylammonium IUPAC Name: 3-[2-[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl]sulfanyl-4-oxoquinazolin-3-yl]propyl-dimethylazanium Traditional Name: 3-[2-[[(1R)-2-(4-fluorophenyl)-2-keto-1-methyl-ethyl]thio]-4-keto-quinazolin-3-yl]propyl-dimethyl-ammonium Formula: C22H25FN3O2S+ MolecularWeight: 414.516203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)F)SC2=NC3=CC=CC=C3C(=O)N2CCC[NH+](C)C

Isomeric SMILES

C[C@H](C(=O)C1=CC=C(C=C1)F)SC2=NC3=CC=CC=C3C(=O)N2CCC[NH+](C)C

InChI

InChI=1S/C22H24FN3O2S/c1-15(20(27)16-9-11-17(23)12-10-16)29-22-24-19-8-5-4-7-18(19)21(28)26(22)14-6-13-25(2)3/h4-5,7-12,15H,6,13-14H2,1-3H3/p+1/t15-/m1/s1