5-(4-bromophenyl)-N-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ium-1-yl-ethyl]-1,2-oxazole-3-carboxamide

Systemtic Name: 5-(4-bromophenyl)-N-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ium-1-yl-ethyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-(4-bromophenyl)-N-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ium-1-yl-ethyl]isoxazole-3-carboxamide CAS Name: 5-(4-bromophenyl)-N-[(2R)-2-(4-chlorophenyl)-2-(1-piperidin-1-iumyl)ethyl]-3-isoxazolecarboxamide IUPAC Name: 5-(4-bromophenyl)-N-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ium-1-ylethyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-(4-bromophenyl)-N-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ium-1-yl-ethyl]isoxazole-3-carboxamide Formula: C23H24BrClN3O2+ MolecularWeight: 489.81256

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CNC(=O)C2=NOC(=C2)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](CNC(=O)C2=NOC(=C2)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H23BrClN3O2/c24-18-8-4-17(5-9-18)22-14-20(27-30-22)23(29)26-15-21(28-12-2-1-3-13-28)16-6-10-19(25)11-7-16/h4-11,14,21H,1-3,12-13,15H2,(H,26,29)/p+1/t21-/m0/s1