ethyl (3S)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(2-methoxyethyl)piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(2-methoxyethyl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-(2,3-dihydrobenzofuran-5-ylmethyl)-3-(2-methoxyethyl)piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-(2,3-dihydrobenzofuran-5-ylmethyl)-3-(2-methoxyethyl)-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(2-methoxyethyl)piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-(coumaran-5-ylmethyl)-3-(2-methoxyethyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C20H30NO4+ MolecularWeight: 348.4565

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC[NH+](C1)CC2=CC3=C(C=C2)OCC3)CCOC

Isomeric SMILES

CCOC(=O)[C@@]1(CCC[NH+](C1)CC2=CC3=C(C=C2)OCC3)CCOC

InChI

InChI=1S/C20H29NO4/c1-3-24-19(22)20(9-12-23-2)8-4-10-21(15-20)14-16-5-6-18-17(13-16)7-11-25-18/h5-6,13H,3-4,7-12,14-15H2,1-2H3/p+1/t20-/m0/s1