(1S,4R)-2-(4-methylpiperazin-4-ium-1-yl)carbonyl-7-oxabicyclo[2.2.1]heptane-3-carboxylate

Systemtic Name: (1S,4R)-2-(4-methylpiperazin-4-ium-1-yl)carbonyl-7-oxabicyclo[2.2.1]heptane-3-carboxylate Openeye Name: (1S,4R)-2-(4-methylpiperazin-4-ium-1-carbonyl)-7-oxabicyclo[2.2.1]heptane-3-carboxylate CAS Name: (1S,4R)-2-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylate IUPAC Name: (1S,4R)-2-(4-methylpiperazin-4-ium-1-carbonyl)-7-oxabicyclo[2.2.1]heptane-3-carboxylate Traditional Name: (1S,4R)-2-(4-methylpiperazin-4-ium-1-carbonyl)-7-oxabicyclo[2.2.1]heptane-3-carboxylate Formula: C13H20N2O4 MolecularWeight: 268.3089

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2C3CCC(C2C(=O)[O-])O3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2[C@@H]3CC[C@H](C2C(=O)[O-])O3

InChI

InChI=1S/C13H20N2O4/c1-14-4-6-15(7-5-14)12(16)10-8-2-3-9(19-8)11(10)13(17)18/h8-11H,2-7H2,1H3,(H,17,18)/t8-,9+,10?,11?/m0/s1