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

Systemtic Name: 5-(4-chlorophenyl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-(4-chlorophenyl)-N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]isoxazole-3-carboxamide CAS Name: 5-(4-chlorophenyl)-N-[(2S)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3-isoxazolecarboxamide IUPAC Name: 5-(4-chlorophenyl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-(4-chlorophenyl)-N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]isoxazole-3-carboxamide Formula: C20H21ClN3O3+ MolecularWeight: 386.85204

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2=NOC(=C2)C3=CC=C(C=C3)Cl)C4=CC=CO4

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)C2=NOC(=C2)C3=CC=C(C=C3)Cl)C4=CC=CO4

InChI

InChI=1S/C20H20ClN3O3/c21-15-7-5-14(6-8-15)19-12-16(23-27-19)20(25)22-13-17(18-4-3-11-26-18)24-9-1-2-10-24/h3-8,11-12,17H,1-2,9-10,13H2,(H,22,25)/p+1/t17-/m0/s1