4-[(2S)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanylpropanoyl]-1,3-dihydroquinoxalin-2-one

Systemtic Name: 4-[(2S)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanylpropanoyl]-1,3-dihydroquinoxalin-2-one Openeye Name: 4-[(2S)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanylpropanoyl]-1,3-dihydroquinoxalin-2-one CAS Name: 4-[(2S)-2-[[2-(4-morpholin-4-iumylmethyl)-4-quinazolinyl]thio]-1-oxopropyl]-1,3-dihydroquinoxalin-2-one IUPAC Name: 4-[(2S)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanylpropanoyl]-1,3-dihydroquinoxalin-2-one Traditional Name: 4-[(2S)-2-[[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]thio]propanoyl]-1,3-dihydroquinoxalin-2-one Formula: C24H26N5O3S+ MolecularWeight: 464.55994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC(=O)NC2=CC=CC=C21)SC3=NC(=NC4=CC=CC=C43)C[NH+]5CCOCC5

Isomeric SMILES

C[C@@H](C(=O)N1CC(=O)NC2=CC=CC=C21)SC3=NC(=NC4=CC=CC=C43)C[NH+]5CCOCC5

InChI

InChI=1S/C24H25N5O3S/c1-16(24(31)29-15-22(30)26-19-8-4-5-9-20(19)29)33-23-17-6-2-3-7-18(17)25-21(27-23)14-28-10-12-32-13-11-28/h2-9,16H,10-15H2,1H3,(H,26,30)/p+1/t16-/m0/s1