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

Systemtic Name: N-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ium-1-yl-ethyl]-5-phenyl-1,2-oxazole-3-carboxamide Openeye Name: N-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ium-1-yl-ethyl]-5-phenyl-isoxazole-3-carboxamide CAS Name: N-[(2R)-2-(4-chlorophenyl)-2-(1-piperidin-1-iumyl)ethyl]-5-phenyl-3-isoxazolecarboxamide IUPAC Name: N-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ium-1-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide Traditional Name: N-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ium-1-yl-ethyl]-5-phenyl-isoxazole-3-carboxamide Formula: C23H25ClN3O2+ MolecularWeight: 410.9165

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24ClN3O2/c24-19-11-9-17(10-12-19)21(27-13-5-2-6-14-27)16-25-23(28)20-15-22(29-26-20)18-7-3-1-4-8-18/h1,3-4,7-12,15,21H,2,5-6,13-14,16H2,(H,25,28)/p+1/t21-/m0/s1