1-[(5-ethylfuran-2-yl)methyl]-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(5-ethylfuran-2-yl)methyl]-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[(5-ethyl-2-furyl)methyl]-N-(6-phenoxy-3-pyridyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(5-ethyl-2-furanyl)methyl]-N-(6-phenoxy-3-pyridinyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(5-ethylfuran-2-yl)methyl]-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[(5-ethyl-2-furyl)methyl]-N-(6-phenoxy-3-pyridyl)piperidin-1-ium-4-carboxamide Formula: C24H28N3O3+ MolecularWeight: 406.49742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(O1)C[NH+]2CCC(CC2)C(=O)NC3=CN=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(O1)C[NH+]2CCC(CC2)C(=O)NC3=CN=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C24H27N3O3/c1-2-20-9-10-22(29-20)17-27-14-12-18(13-15-27)24(28)26-19-8-11-23(25-16-19)30-21-6-4-3-5-7-21/h3-11,16,18H,2,12-15,17H2,1H3,(H,26,28)/p+1