methyl 2-[(1R,2R)-2-(1-oxidanidylpyrrolidin-1-ium-1-yl)cyclohexyl]ethanoate

Systemtic Name: methyl 2-[(1R,2R)-2-(1-oxidanidylpyrrolidin-1-ium-1-yl)cyclohexyl]ethanoate Openeye Name: methyl 2-[(1R,2R)-2-(1-oxidopyrrolidin-1-ium-1-yl)cyclohexyl]acetate CAS Name: 2-[(1R,2R)-2-(1-oxido-1-pyrrolidin-1-iumyl)cyclohexyl]acetic acid methyl ester IUPAC Name: methyl 2-[(1R,2R)-2-(1-oxidopyrrolidin-1-ium-1-yl)cyclohexyl]acetate Traditional Name: 2-[(1R,2R)-2-(1-oxidopyrrolidin-1-ium-1-yl)cyclohexyl]acetic acid methyl ester Formula: C13H23NO3 MolecularWeight: 241.32662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CCCCC1[N+]2(CCCC2)[O-]

Isomeric SMILES

COC(=O)C[C@H]1CCCC[C@H]1[N+]2(CCCC2)[O-]

InChI

InChI=1S/C13H23NO3/c1-17-13(15)10-11-6-2-3-7-12(11)14(16)8-4-5-9-14/h11-12H,2-10H2,1H3/t11-,12-/m1/s1