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

Systemtic Name: 2-[(2S)-3-morpholin-4-ium-4-yl-2-oxidanyl-propyl]sulfanyl-3-propyl-quinazolin-4-one Openeye Name: 2-[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propyl]sulfanyl-3-propyl-quinazolin-4-one CAS Name: 2-[[(2S)-2-hydroxy-3-(4-morpholin-4-iumyl)propyl]thio]-3-propyl-4-quinazolinone IUPAC Name: 2-[(2S)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]sulfanyl-3-propylquinazolin-4-one Traditional Name: 2-[[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propyl]thio]-3-propyl-quinazolin-4-one Formula: C18H26N3O3S+ MolecularWeight: 364.48234

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(C[NH+]3CCOCC3)O

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N=C1SC[C@H](C[NH+]3CCOCC3)O

InChI

InChI=1S/C18H25N3O3S/c1-2-7-21-17(23)15-5-3-4-6-16(15)19-18(21)25-13-14(22)12-20-8-10-24-11-9-20/h3-6,14,22H,2,7-13H2,1H3/p+1/t14-/m0/s1