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

Systemtic Name: 2-[(2S)-3-morpholin-4-ium-4-yl-2-oxidanyl-propyl]sulfanyl-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-2-[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propyl]sulfanyl-quinazolin-4-one CAS Name: 2-[[(2S)-2-hydroxy-3-(4-morpholin-4-iumyl)propyl]thio]-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-2-[(2S)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]sulfanylquinazolin-4-one Traditional Name: 3-benzyl-2-[[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propyl]thio]quinazolin-4-one Formula: C22H26N3O3S+ MolecularWeight: 412.52514

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4)O

Isomeric SMILES

C1COCC[NH+]1C[C@@H](CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4)O

InChI

InChI=1S/C22H25N3O3S/c26-18(15-24-10-12-28-13-11-24)16-29-22-23-20-9-5-4-8-19(20)21(27)25(22)14-17-6-2-1-3-7-17/h1-9,18,26H,10-16H2/p+1/t18-/m0/s1