methyl 1-azoniabicyclo[2.2.2]oct-2-ene-3-carboxylate

Systemtic Name: methyl 1-azoniabicyclo[2.2.2]oct-2-ene-3-carboxylate Openeye Name: methyl 1-azoniabicyclo[2.2.2]oct-2-ene-3-carboxylate CAS Name: 1-azoniabicyclo[2.2.2]oct-2-ene-3-carboxylic acid methyl ester IUPAC Name: methyl 1-azoniabicyclo[2.2.2]oct-2-ene-3-carboxylate Traditional Name: 1-azoniabicyclo[2.2.2]oct-2-ene-3-carboxylic acid methyl ester Formula: C9H14NO2+ MolecularWeight: 168.21296

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C[NH+]2CCC1CC2

Isomeric SMILES

COC(=O)C1=C[NH+]2CCC1CC2

InChI

InChI=1S/C9H13NO2/c1-12-9(11)8-6-10-4-2-7(8)3-5-10/h6-7H,2-5H2,1H3/p+1