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

Systemtic Name: 7-chloranyl-2-[(2S)-3-morpholin-4-ium-4-yl-2-oxidanyl-propyl]sulfanyl-3-propyl-quinazolin-4-one Openeye Name: 7-chloro-2-[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propyl]sulfanyl-3-propyl-quinazolin-4-one CAS Name: 7-chloro-2-[[(2S)-2-hydroxy-3-(4-morpholin-4-iumyl)propyl]thio]-3-propyl-4-quinazolinone IUPAC Name: 7-chloro-2-[(2S)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]sulfanyl-3-propylquinazolin-4-one Traditional Name: 7-chloro-2-[[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propyl]thio]-3-propyl-quinazolin-4-one Formula: C18H25ClN3O3S+ MolecularWeight: 398.9274

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(C[NH+]3CCOCC3)O

Isomeric SMILES

CCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SC[C@H](C[NH+]3CCOCC3)O

InChI

InChI=1S/C18H24ClN3O3S/c1-2-5-22-17(24)15-4-3-13(19)10-16(15)20-18(22)26-12-14(23)11-21-6-8-25-9-7-21/h3-4,10,14,23H,2,5-9,11-12H2,1H3/p+1/t14-/m0/s1