methyl 3-[(3S)-pyrrolidin-1-ium-3-yl]oxybenzoate

Systemtic Name: methyl 3-[(3S)-pyrrolidin-1-ium-3-yl]oxybenzoate Openeye Name: methyl 3-[(3S)-pyrrolidin-1-ium-3-yl]oxybenzoate CAS Name: 3-[[(3S)-3-pyrrolidin-1-iumyl]oxy]benzoic acid methyl ester IUPAC Name: methyl 3-[(3S)-pyrrolidin-1-ium-3-yl]oxybenzoate Traditional Name: 3-[(3S)-pyrrolidin-1-ium-3-yl]oxybenzoic acid methyl ester Formula: C12H16NO3+ MolecularWeight: 222.26034

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)OC2CC[NH2+]C2

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)O[C@H]2CC[NH2+]C2

InChI

InChI=1S/C12H15NO3/c1-15-12(14)9-3-2-4-10(7-9)16-11-5-6-13-8-11/h2-4,7,11,13H,5-6,8H2,1H3/p+1/t11-/m0/s1