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

Systemtic Name: ethyl (3S)-1-(1-benzofuran-2-ylmethyl)-3-(2-methoxyethyl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-(benzofuran-2-ylmethyl)-3-(2-methoxyethyl)piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-(2-benzofuranylmethyl)-3-(2-methoxyethyl)-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(1-benzofuran-2-ylmethyl)-3-(2-methoxyethyl)piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-(benzofuran-2-ylmethyl)-3-(2-methoxyethyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C20H28NO4+ MolecularWeight: 346.44062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC[NH+](C1)CC2=CC3=CC=CC=C3O2)CCOC

Isomeric SMILES

CCOC(=O)[C@@]1(CCC[NH+](C1)CC2=CC3=CC=CC=C3O2)CCOC

InChI

InChI=1S/C20H27NO4/c1-3-24-19(22)20(10-12-23-2)9-6-11-21(15-20)14-17-13-16-7-4-5-8-18(16)25-17/h4-5,7-8,13H,3,6,9-12,14-15H2,1-2H3/p+1/t20-/m0/s1