methyl 1-[(2-ethoxycarbonyl-1-benzofuran-3-yl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[(2-ethoxycarbonyl-1-benzofuran-3-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(2-ethoxycarbonylbenzofuran-3-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2-ethoxycarbonyl-3-benzofuranyl)methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(2-ethoxycarbonyl-1-benzofuran-3-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(2-carbethoxybenzofuran-3-yl)methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C19H24NO5+ MolecularWeight: 346.39756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)C[NH+]3CCC(CC3)C(=O)OC

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)C[NH+]3CCC(CC3)C(=O)OC

InChI

InChI=1S/C19H23NO5/c1-3-24-19(22)17-15(14-6-4-5-7-16(14)25-17)12-20-10-8-13(9-11-20)18(21)23-2/h4-7,13H,3,8-12H2,1-2H3/p+1