4-[(2S,4R)-4-oxidanylpyrrolidin-1-ium-2-yl]carbonyl-1,3-dihydroquinoxalin-2-one

Systemtic Name: 4-[(2S,4R)-4-oxidanylpyrrolidin-1-ium-2-yl]carbonyl-1,3-dihydroquinoxalin-2-one Openeye Name: 4-[(2S,4R)-4-hydroxypyrrolidin-1-ium-2-carbonyl]-1,3-dihydroquinoxalin-2-one CAS Name: 4-[[(2S,4R)-4-hydroxy-2-pyrrolidin-1-iumyl]-oxomethyl]-1,3-dihydroquinoxalin-2-one IUPAC Name: 4-[(2S,4R)-4-hydroxypyrrolidin-1-ium-2-carbonyl]-1,3-dihydroquinoxalin-2-one Traditional Name: 4-[(2S,4R)-4-hydroxypyrrolidin-1-ium-2-carbonyl]-1,3-dihydroquinoxalin-2-one Formula: C13H16N3O3+ MolecularWeight: 262.28444

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C[NH2+]C1C(=O)N2CC(=O)NC3=CC=CC=C32)O

Isomeric SMILES

C1[C@H](C[NH2+][C@@H]1C(=O)N2CC(=O)NC3=CC=CC=C32)O

InChI

InChI=1S/C13H15N3O3/c17-8-5-10(14-6-8)13(19)16-7-12(18)15-9-3-1-2-4-11(9)16/h1-4,8,10,14,17H,5-7H2,(H,15,18)/p+1/t8-,10+/m1/s1