3-[2-[2-[(2R)-2-methylpyrrolidin-1-ium-1-yl]ethyl]-1-benzofuran-5-yl]benzoate

Systemtic Name: 3-[2-[2-[(2R)-2-methylpyrrolidin-1-ium-1-yl]ethyl]-1-benzofuran-5-yl]benzoate Openeye Name: 3-[2-[2-[(2R)-2-methylpyrrolidin-1-ium-1-yl]ethyl]benzofuran-5-yl]benzoate CAS Name: 3-[2-[2-[(2R)-2-methyl-1-pyrrolidin-1-iumyl]ethyl]-5-benzofuranyl]benzoate IUPAC Name: 3-[2-[2-[(2R)-2-methylpyrrolidin-1-ium-1-yl]ethyl]-1-benzofuran-5-yl]benzoate Traditional Name: 3-[2-[2-[(2R)-2-methylpyrrolidin-1-ium-1-yl]ethyl]benzofuran-5-yl]benzoate Formula: C22H23NO3 MolecularWeight: 349.42292

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+]1CCC2=CC3=C(O2)C=CC(=C3)C4=CC(=CC=C4)C(=O)[O-]

Isomeric SMILES

C[C@@H]1CCC[NH+]1CCC2=CC3=C(O2)C=CC(=C3)C4=CC(=CC=C4)C(=O)[O-]

InChI

InChI=1S/C22H23NO3/c1-15-4-3-10-23(15)11-9-20-14-19-13-17(7-8-21(19)26-20)16-5-2-6-18(12-16)22(24)25/h2,5-8,12-15H,3-4,9-11H2,1H3,(H,24,25)/t15-/m1/s1