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

Systemtic Name: 5-(4-chlorophenyl)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-(4-chlorophenyl)-N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]isoxazole-3-carboxamide CAS Name: 5-(4-chlorophenyl)-N-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-3-isoxazolecarboxamide IUPAC Name: 5-(4-chlorophenyl)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-(4-chlorophenyl)-N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]isoxazole-3-carboxamide Formula: C21H23ClN3O3+ MolecularWeight: 400.87862

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CNC(=O)C2=NOC(=C2)C3=CC=C(C=C3)Cl)C4=CC=CO4

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](CNC(=O)C2=NOC(=C2)C3=CC=C(C=C3)Cl)C4=CC=CO4

InChI

InChI=1S/C21H22ClN3O3/c22-16-8-6-15(7-9-16)20-13-17(24-28-20)21(26)23-14-18(19-5-4-12-27-19)25-10-2-1-3-11-25/h4-9,12-13,18H,1-3,10-11,14H2,(H,23,26)/p+1/t18-/m0/s1