ethyl 3-(3-piperidin-1-ium-1-ylpropanoylamino)-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-(3-piperidin-1-ium-1-ylpropanoylamino)-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-(3-piperidin-1-ium-1-ylpropanoylamino)benzofuran-2-carboxylate CAS Name: 3-[[1-oxo-3-(1-piperidin-1-iumyl)propyl]amino]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-(3-piperidin-1-ium-1-ylpropanoylamino)-1-benzofuran-2-carboxylate Traditional Name: 3-(3-piperidin-1-ium-1-ylpropanoylamino)coumarilic acid ethyl ester Formula: C19H25N2O4+ MolecularWeight: 345.4128

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)NC(=O)CC[NH+]3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)NC(=O)CC[NH+]3CCCCC3

InChI

InChI=1S/C19H24N2O4/c1-2-24-19(23)18-17(14-8-4-5-9-15(14)25-18)20-16(22)10-13-21-11-6-3-7-12-21/h4-5,8-9H,2-3,6-7,10-13H2,1H3,(H,20,22)/p+1