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

Systemtic Name: 3-ethyl-2-[(2S)-3-morpholin-4-ium-4-yl-2-oxidanyl-propyl]sulfanyl-quinazolin-4-one Openeye Name: 3-ethyl-2-[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propyl]sulfanyl-quinazolin-4-one CAS Name: 3-ethyl-2-[[(2S)-2-hydroxy-3-(4-morpholin-4-iumyl)propyl]thio]-4-quinazolinone IUPAC Name: 3-ethyl-2-[(2S)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]sulfanylquinazolin-4-one Traditional Name: 3-ethyl-2-[[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propyl]thio]quinazolin-4-one Formula: C17H24N3O3S+ MolecularWeight: 350.45576

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2N=C1SCC(C[NH+]3CCOCC3)O

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2N=C1SC[C@H](C[NH+]3CCOCC3)O

InChI

InChI=1S/C17H23N3O3S/c1-2-20-16(22)14-5-3-4-6-15(14)18-17(20)24-12-13(21)11-19-7-9-23-10-8-19/h3-6,13,21H,2,7-12H2,1H3/p+1/t13-/m0/s1