3-(2-piperidin-1-ium-1-ylethanoylamino)-1-benzofuran-2-carboxamide

Systemtic Name: 3-(2-piperidin-1-ium-1-ylethanoylamino)-1-benzofuran-2-carboxamide Openeye Name: 3-[(2-piperidin-1-ium-1-ylacetyl)amino]benzofuran-2-carboxamide CAS Name: 3-[[1-oxo-2-(1-piperidin-1-iumyl)ethyl]amino]-2-benzofurancarboxamide IUPAC Name: 3-[(2-piperidin-1-ium-1-ylacetyl)amino]-1-benzofuran-2-carboxamide Traditional Name: 3-[(2-piperidin-1-ium-1-ylacetyl)amino]coumarilamide Formula: C16H20N3O3+ MolecularWeight: 302.3483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)NC2=C(OC3=CC=CC=C32)C(=O)N

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)NC2=C(OC3=CC=CC=C32)C(=O)N

InChI

InChI=1S/C16H19N3O3/c17-16(21)15-14(11-6-2-3-7-12(11)22-15)18-13(20)10-19-8-4-1-5-9-19/h2-3,6-7H,1,4-5,8-10H2,(H2,17,21)(H,18,20)/p+1