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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC3=C(C=C2)OCC3)C(=O)NC4=CC=CC=C4OC5=CN=CC=C5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC3=C(C=C2)OCC3)C(=O)NC4=CC=CC=C4OC5=CN=CC=C5

InChI

InChI=1S/C26H27N3O3/c30-26(28-23-7-1-2-8-25(23)32-22-6-3-12-27-16-22)21-5-4-13-29(18-21)17-19-9-10-24-20(15-19)11-14-31-24/h1-3,6-10,12,15-16,21H,4-5,11,13-14,17-18H2,(H,28,30)/p+1/t21-/m0/s1