5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]-1,2-oxazole-3-carboxamide

Systemtic Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]isoxazole-3-carboxamide CAS Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-2-phenyl-2-(1-piperidin-1-iumyl)ethyl]-3-isoxazolecarboxamide IUPAC Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-2-phenyl-2-piperidin-1-ium-1-ylethyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]isoxazole-3-carboxamide Formula: C25H28N3O4+ MolecularWeight: 434.50752

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CNC(=O)C2=NOC(=C2)C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](CNC(=O)C2=NOC(=C2)C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5

InChI

InChI=1S/C25H27N3O4/c29-25(26-17-21(18-7-3-1-4-8-18)28-11-5-2-6-12-28)20-16-23(32-27-20)19-9-10-22-24(15-19)31-14-13-30-22/h1,3-4,7-10,15-16,21H,2,5-6,11-14,17H2,(H,26,29)/p+1/t21-/m0/s1