(2S,3aR,4E)-4-hydroxyimino-2-methyl-2-morpholin-4-yl-1-oxidanidyl-3,5,6,7-tetrahydroindol-1-ium-3a-ol

Systemtic Name: (2S,3aR,4E)-4-hydroxyimino-2-methyl-2-morpholin-4-yl-1-oxidanidyl-3,5,6,7-tetrahydroindol-1-ium-3a-ol Openeye Name: (2S,3aR)-3a-hydroxy-2-methyl-2-morpholino-1-oxido-3,5,6,7-tetrahydroindol-1-ium-4-one oxime CAS Name: (2S,3aR)-3a-hydroxy-2-methyl-2-(4-morpholinyl)-1-oxido-3,5,6,7-tetrahydroindol-1-ium-4-one oxime IUPAC Name: (2S,3aR,4E)-4-hydroxyimino-2-methyl-2-morpholin-4-yl-1-oxido-3,5,6,7-tetrahydroindol-1-ium-3a-ol Traditional Name: (2S,3aR)-3a-hydroxy-2-methyl-2-morpholino-1-oxido-3,5,6,7-tetrahydroindol-1-ium-4-one oxime Formula: C13H21N3O4 MolecularWeight: 283.32354

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2(C(=NO)CCCC2=[N+]1[O-])O)N3CCOCC3

Isomeric SMILES

C[C@]1(C[C@]2(/C(=N/O)/CCCC2=[N+]1[O-])O)N3CCOCC3

InChI

InChI=1S/C13H21N3O4/c1-12(15-5-7-20-8-6-15)9-13(17)10(14-18)3-2-4-11(13)16(12)19/h17-18H,2-9H2,1H3/b14-10+/t12-,13+/m0/s1