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

Systemtic Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-2-piperidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-2-piperidin-1-ium-1-yl-2-(2-thienyl)ethyl]isoxazole-3-carboxamide CAS Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-2-(1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]-3-isoxazolecarboxamide IUPAC Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-2-piperidin-1-ium-1-yl-2-thiophen-2-ylethyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-2-piperidin-1-ium-1-yl-2-(2-thienyl)ethyl]isoxazole-3-carboxamide Formula: C23H26N3O4S+ MolecularWeight: 440.53524

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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=CS5

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](CNC(=O)C2=NOC(=C2)C3=CC4=C(C=C3)OCCO4)C5=CC=CS5

InChI

InChI=1S/C23H25N3O4S/c27-23(24-15-18(22-5-4-12-31-22)26-8-2-1-3-9-26)17-14-20(30-25-17)16-6-7-19-21(13-16)29-11-10-28-19/h4-7,12-14,18H,1-3,8-11,15H2,(H,24,27)/p+1/t18-/m0/s1