ethyl 2-[(4-aminocarbonylpiperidin-1-ium-1-yl)methyl]-5-methoxy-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 2-[(4-aminocarbonylpiperidin-1-ium-1-yl)methyl]-5-methoxy-1-benzofuran-3-carboxylate Openeye Name: ethyl 2-[(4-carbamoylpiperidin-1-ium-1-yl)methyl]-5-methoxy-benzofuran-3-carboxylate CAS Name: 2-[(4-carbamoyl-1-piperidin-1-iumyl)methyl]-5-methoxy-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-carbamoylpiperidin-1-ium-1-yl)methyl]-5-methoxy-1-benzofuran-3-carboxylate Traditional Name: 2-[(4-carbamoylpiperidin-1-ium-1-yl)methyl]-5-methoxy-benzofuran-3-carboxylic acid ethyl ester Formula: C19H25N2O5+ MolecularWeight: 361.4122

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC)C[NH+]3CCC(CC3)C(=O)N

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC)C[NH+]3CCC(CC3)C(=O)N

InChI

InChI=1S/C19H24N2O5/c1-3-25-19(23)17-14-10-13(24-2)4-5-15(14)26-16(17)11-21-8-6-12(7-9-21)18(20)22/h4-5,10,12H,3,6-9,11H2,1-2H3,(H2,20,22)/p+1