methyl 3-(3-oxidanylidene-1-azoniabicyclo[2.2.2]octan-1-yl)propanoate

Systemtic Name: methyl 3-(3-oxidanylidene-1-azoniabicyclo[2.2.2]octan-1-yl)propanoate Openeye Name: methyl 3-(3-oxoquinuclidin-1-ium-1-yl)propanoate CAS Name: 3-(3-oxo-1-azoniabicyclo[2.2.2]octan-1-yl)propanoic acid methyl ester IUPAC Name: methyl 3-(3-oxo-1-azoniabicyclo[2.2.2]octan-1-yl)propanoate Traditional Name: 3-(3-ketoquinuclidin-1-ium-1-yl)propionic acid methyl ester Formula: C11H18NO3+ MolecularWeight: 212.26552

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC[N+]12CCC(CC1)C(=O)C2

Isomeric SMILES

COC(=O)CC[N+]12CCC(CC1)C(=O)C2

InChI

InChI=1S/C11H18NO3/c1-15-11(14)4-7-12-5-2-9(3-6-12)10(13)8-12/h9H,2-8H2,1H3/q+1