1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: 1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: 1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-2,5-dimethyl-3-pyrrolecarboxylate IUPAC Name: 1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2,5-dimethyl-pyrrole-3-carboxylate Formula: C14H22N2O2 MolecularWeight: 250.33668

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CN2C(=CC(=C2C)C(=O)[O-])C

Isomeric SMILES

CC[NH+]1CCC[C@H]1CN2C(=CC(=C2C)C(=O)[O-])C

InChI

InChI=1S/C14H22N2O2/c1-4-15-7-5-6-12(15)9-16-10(2)8-13(11(16)3)14(17)18/h8,12H,4-7,9H2,1-3H3,(H,17,18)/t12-/m0/s1