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

Systemtic Name: ethyl 3-[(4-aminocarbonylpiperidin-1-ium-1-yl)methyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[(4-carbamoylpiperidin-1-ium-1-yl)methyl]benzofuran-2-carboxylate CAS Name: 3-[(4-carbamoyl-1-piperidin-1-iumyl)methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-carbamoylpiperidin-1-ium-1-yl)methyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[(4-carbamoylpiperidin-1-ium-1-yl)methyl]coumarilic acid ethyl ester Formula: C18H23N2O4+ MolecularWeight: 331.38622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O4/c1-2-23-18(22)16-14(13-5-3-4-6-15(13)24-16)11-20-9-7-12(8-10-20)17(19)21/h3-6,12H,2,7-11H2,1H3,(H2,19,21)/p+1