ethyl 1-[(1-benzofuran-2-ylcarbonylamino)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(1-benzofuran-2-ylcarbonylamino)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(benzofuran-2-carbonylamino)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[[2-benzofuranyl(oxo)methyl]amino]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(1-benzofuran-2-carbonylamino)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(benzofuran-2-carbonylamino)methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C18H23N2O4+ MolecularWeight: 331.38622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CNC(=O)C2=CC3=CC=CC=C3O2

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CNC(=O)C2=CC3=CC=CC=C3O2

InChI

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