ethyl 3-[[(3R)-3-aminocarbonylpiperidin-1-ium-1-yl]methyl]-5-bromanyl-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[[(3R)-3-aminocarbonylpiperidin-1-ium-1-yl]methyl]-5-bromanyl-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-bromo-3-[[(3R)-3-carbamoylpiperidin-1-ium-1-yl]methyl]benzofuran-2-carboxylate CAS Name: 5-bromo-3-[[(3R)-3-carbamoyl-1-piperidin-1-iumyl]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[[(3R)-3-carbamoylpiperidin-1-ium-1-yl]methyl]-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-[[(3R)-3-carbamoylpiperidin-1-ium-1-yl]methyl]coumarilic acid ethyl ester Formula: C18H22BrN2O4+ MolecularWeight: 410.28228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)C[NH+]3CCCC(C3)C(=O)N

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)C[NH+]3CCC[C@H](C3)C(=O)N

InChI

InChI=1S/C18H21BrN2O4/c1-2-24-18(23)16-14(13-8-12(19)5-6-15(13)25-16)10-21-7-3-4-11(9-21)17(20)22/h5-6,8,11H,2-4,7,9-10H2,1H3,(H2,20,22)/p+1/t11-/m1/s1