(E)-2-[(2S,5R,6R)-5-acetyloxy-6-methyl-piperidin-2-yl]-2-diazonio-1-methoxy-ethenolate

Systemtic Name: (E)-2-[(2S,5R,6R)-5-acetyloxy-6-methyl-piperidin-2-yl]-2-diazonio-1-methoxy-ethenolate Openeye Name: (E)-2-[(2S,5R,6R)-5-acetoxy-6-methyl-2-piperidyl]-2-diazonio-1-methoxy-ethenolate CAS Name: (E)-2-[(2S,5R,6R)-5-acetyloxy-6-methyl-2-piperidinyl]-2-diazonio-1-methoxyethenolate IUPAC Name: (E)-2-[(2S,5R,6R)-5-acetyloxy-6-methylpiperidin-2-yl]-2-diazonio-1-methoxyethenolate Traditional Name: (E)-2-[(2S,5R,6R)-5-acetoxy-6-methyl-2-piperidyl]-2-diazonio-1-methoxy-ethenolate Formula: C11H17N3O4 MolecularWeight: 255.27038

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CCC(N1)C(=C([O-])OC)[N+]#N)OC(=O)C

Isomeric SMILES

C[C@@H]1[C@@H](CC[C@H](N1)/C(=C(/[O-])\OC)/[N+]#N)OC(=O)C

InChI

InChI=1S/C11H17N3O4/c1-6-9(18-7(2)15)5-4-8(13-6)10(14-12)11(16)17-3/h6,8-9,13H,4-5H2,1-3H3/b11-10+/t6-,8+,9-/m1/s1