(2R)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(4-pyridin-3-yloxyphenyl)piperidin-1-ium-2-carboxamide

Systemtic Name: (2R)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(4-pyridin-3-yloxyphenyl)piperidin-1-ium-2-carboxamide Openeye Name: (2R)-1-(2,3-dihydrobenzofuran-5-ylmethyl)-N-[4-(3-pyridyloxy)phenyl]piperidin-1-ium-2-carboxamide CAS Name: (2R)-1-(2,3-dihydrobenzofuran-5-ylmethyl)-N-[4-(3-pyridinyloxy)phenyl]-2-piperidin-1-iumcarboxamide IUPAC Name: (2R)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(4-pyridin-3-yloxyphenyl)piperidin-1-ium-2-carboxamide Traditional Name: (2R)-1-(coumaran-5-ylmethyl)-N-[4-(3-pyridyloxy)phenyl]piperidin-1-ium-2-carboxamide Formula: C26H28N3O3+ MolecularWeight: 430.51882

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)C(=O)NC2=CC=C(C=C2)OC3=CN=CC=C3)CC4=CC5=C(C=C4)OCC5

Isomeric SMILES

C1CC[NH+]([C@H](C1)C(=O)NC2=CC=C(C=C2)OC3=CN=CC=C3)CC4=CC5=C(C=C4)OCC5

InChI

InChI=1S/C26H27N3O3/c30-26(28-21-7-9-22(10-8-21)32-23-4-3-13-27-17-23)24-5-1-2-14-29(24)18-19-6-11-25-20(16-19)12-15-31-25/h3-4,6-11,13,16-17,24H,1-2,5,12,14-15,18H2,(H,28,30)/p+1/t24-/m1/s1