3-(2-fluorophenyl)-2-[(2S)-3-morpholin-4-ium-4-yl-2-oxidanyl-propyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(2-fluorophenyl)-2-[(2S)-3-morpholin-4-ium-4-yl-2-oxidanyl-propyl]sulfanyl-quinazolin-4-one Openeye Name: 3-(2-fluorophenyl)-2-[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propyl]sulfanyl-quinazolin-4-one CAS Name: 3-(2-fluorophenyl)-2-[[(2S)-2-hydroxy-3-(4-morpholin-4-iumyl)propyl]thio]-4-quinazolinone IUPAC Name: 3-(2-fluorophenyl)-2-[(2S)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]sulfanylquinazolin-4-one Traditional Name: 3-(2-fluorophenyl)-2-[[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propyl]thio]quinazolin-4-one Formula: C21H23FN3O3S+ MolecularWeight: 416.489023

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4F)O

Isomeric SMILES

C1COCC[NH+]1C[C@@H](CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4F)O

InChI

InChI=1S/C21H22FN3O3S/c22-17-6-2-4-8-19(17)25-20(27)16-5-1-3-7-18(16)23-21(25)29-14-15(26)13-24-9-11-28-12-10-24/h1-8,15,26H,9-14H2/p+1/t15-/m0/s1