methyl (1R,2S,4S)-2-oxidanyl-7-azoniabicyclo[2.2.1]heptane-4-carboxylate

Systemtic Name: methyl (1R,2S,4S)-2-oxidanyl-7-azoniabicyclo[2.2.1]heptane-4-carboxylate Openeye Name: methyl (1R,2S,4S)-2-hydroxy-7-azoniabicyclo[2.2.1]heptane-4-carboxylate CAS Name: (1R,2S,4S)-2-hydroxy-7-azoniabicyclo[2.2.1]heptane-4-carboxylic acid methyl ester IUPAC Name: methyl (1R,2S,4S)-2-hydroxy-7-azoniabicyclo[2.2.1]heptane-4-carboxylate Traditional Name: (1R,2S,4S)-2-hydroxy-7-azoniabicyclo[2.2.1]heptane-4-carboxylic acid methyl ester Formula: C8H14NO3+ MolecularWeight: 172.20166

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C12CCC([NH2+]1)C(C2)O

Isomeric SMILES

COC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H](C2)O

InChI

InChI=1S/C8H13NO3/c1-12-7(11)8-3-2-5(9-8)6(10)4-8/h5-6,9-10H,2-4H2,1H3/p+1/t5-,6+,8+/m1/s1