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

Systemtic Name: 3-(2-methylpropyl)-2-[(2S)-3-morpholin-4-ium-4-yl-2-oxidanyl-propyl]sulfanyl-quinazolin-4-one Openeye Name: 2-[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propyl]sulfanyl-3-isobutyl-quinazolin-4-one CAS Name: 2-[[(2S)-2-hydroxy-3-(4-morpholin-4-iumyl)propyl]thio]-3-(2-methylpropyl)-4-quinazolinone IUPAC Name: 2-[(2S)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one Traditional Name: 2-[[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propyl]thio]-3-isobutyl-quinazolin-4-one Formula: C19H28N3O3S+ MolecularWeight: 378.50892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC(C[NH+]3CCOCC3)O

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SC[C@H](C[NH+]3CCOCC3)O

InChI

InChI=1S/C19H27N3O3S/c1-14(2)11-22-18(24)16-5-3-4-6-17(16)20-19(22)26-13-15(23)12-21-7-9-25-10-8-21/h3-6,14-15,23H,7-13H2,1-2H3/p+1/t15-/m0/s1