[(3S,4R,5R,6S)-4,5-diacetyloxy-6-methyl-piperidin-1-ium-3-yl] ethanoate chloride

Systemtic Name: [(3S,4R,5R,6S)-4,5-diacetyloxy-6-methyl-piperidin-1-ium-3-yl] ethanoate chloride Openeye Name: [(3S,4R,5R,6S)-4,5-diacetoxy-6-methyl-piperidin-1-ium-3-yl] acetate chloride CAS Name: acetic acid [(3S,4R,5R,6S)-4,5-diacetyloxy-6-methyl-3-piperidin-1-iumyl] ester chloride IUPAC Name: [(3S,4R,5R,6S)-4,5-diacetyloxy-6-methylpiperidin-1-ium-3-yl] acetate chloride Traditional Name: acetic acid [(3S,4R,5R,6S)-4,5-diacetoxy-6-methyl-piperidin-1-ium-3-yl] ester chloride Formula: C12H20ClNO6 MolecularWeight: 309.7433

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C[NH2+]1)OC(=O)C)OC(=O)C)OC(=O)C.[Cl-]

Isomeric SMILES

C[C@H]1[C@H]([C@@H]([C@H](C[NH2+]1)OC(=O)C)OC(=O)C)OC(=O)C.[Cl-]

InChI

InChI=1S/C12H19NO6.ClH/c1-6-11(18-8(3)15)12(19-9(4)16)10(5-13-6)17-7(2)14;/h6,10-13H,5H2,1-4H3;1H/t6-,10-,11+,12+;/m0./s1