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

Systemtic Name: 5-(4-chlorophenyl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-(4-chlorophenyl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]isoxazole-3-carboxamide CAS Name: 5-(4-chlorophenyl)-N-[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]-3-isoxazolecarboxamide IUPAC Name: 5-(4-chlorophenyl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-(4-chlorophenyl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]isoxazole-3-carboxamide Formula: C20H21ClN3O3S+ MolecularWeight: 418.91704

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CNC(=O)C2=NOC(=C2)C3=CC=C(C=C3)Cl)C4=CC=CS4

Isomeric SMILES

C1COCC[NH+]1[C@@H](CNC(=O)C2=NOC(=C2)C3=CC=C(C=C3)Cl)C4=CC=CS4

InChI

InChI=1S/C20H20ClN3O3S/c21-15-5-3-14(4-6-15)18-12-16(23-27-18)20(25)22-13-17(19-2-1-11-28-19)24-7-9-26-10-8-24/h1-6,11-12,17H,7-10,13H2,(H,22,25)/p+1/t17-/m0/s1