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

Systemtic Name: 6-chloranyl-3-(2-methylpropyl)-2-[(2S)-3-morpholin-4-ium-4-yl-2-oxidanyl-propyl]sulfanyl-quinazolin-4-one Openeye Name: 6-chloro-2-[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propyl]sulfanyl-3-isobutyl-quinazolin-4-one CAS Name: 6-chloro-2-[[(2S)-2-hydroxy-3-(4-morpholin-4-iumyl)propyl]thio]-3-(2-methylpropyl)-4-quinazolinone IUPAC Name: 6-chloro-2-[(2S)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one Traditional Name: 6-chloro-2-[[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propyl]thio]-3-isobutyl-quinazolin-4-one Formula: C19H27ClN3O3S+ MolecularWeight: 412.95398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26ClN3O3S/c1-13(2)10-23-18(25)16-9-14(20)3-4-17(16)21-19(23)27-12-15(24)11-22-5-7-26-8-6-22/h3-4,9,13,15,24H,5-8,10-12H2,1-2H3/p+1/t15-/m0/s1