ethyl 5-bromanyl-3-(3-piperidin-1-ium-1-ylpropanoylamino)-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 5-bromanyl-3-(3-piperidin-1-ium-1-ylpropanoylamino)-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-bromo-3-(3-piperidin-1-ium-1-ylpropanoylamino)benzofuran-2-carboxylate CAS Name: 5-bromo-3-[[1-oxo-3-(1-piperidin-1-iumyl)propyl]amino]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-(3-piperidin-1-ium-1-ylpropanoylamino)-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-(3-piperidin-1-ium-1-ylpropanoylamino)coumarilic acid ethyl ester Formula: C19H24BrN2O4+ MolecularWeight: 424.30886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)NC(=O)CC[NH+]3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)NC(=O)CC[NH+]3CCCCC3

InChI

InChI=1S/C19H23BrN2O4/c1-2-25-19(24)18-17(14-12-13(20)6-7-15(14)26-18)21-16(23)8-11-22-9-4-3-5-10-22/h6-7,12H,2-5,8-11H2,1H3,(H,21,23)/p+1