1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-4-carboxamide Openeye Name: 1-(2,3-dihydrobenzofuran-5-ylmethyl)-N-(6-phenoxy-3-pyridyl)piperidin-1-ium-4-carboxamide CAS Name: 1-(2,3-dihydrobenzofuran-5-ylmethyl)-N-(6-phenoxy-3-pyridinyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-4-carboxamide Traditional Name: 1-(coumaran-5-ylmethyl)-N-(6-phenoxy-3-pyridyl)piperidin-1-ium-4-carboxamide Formula: C26H28N3O3+ MolecularWeight: 430.51882

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CN=C(C=C2)OC3=CC=CC=C3)CC4=CC5=C(C=C4)OCC5

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CN=C(C=C2)OC3=CC=CC=C3)CC4=CC5=C(C=C4)OCC5

InChI

InChI=1S/C26H27N3O3/c30-26(28-22-7-9-25(27-17-22)32-23-4-2-1-3-5-23)20-10-13-29(14-11-20)18-19-6-8-24-21(16-19)12-15-31-24/h1-9,16-17,20H,10-15,18H2,(H,28,30)/p+1