5-(4-bromophenyl)-N-[(2R)-2-morpholin-4-ium-4-yl-2-(4-propan-2-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide

Systemtic Name: 5-(4-bromophenyl)-N-[(2R)-2-morpholin-4-ium-4-yl-2-(4-propan-2-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-(4-bromophenyl)-N-[(2R)-2-(4-isopropylphenyl)-2-morpholin-4-ium-4-yl-ethyl]isoxazole-3-carboxamide CAS Name: 5-(4-bromophenyl)-N-[(2R)-2-(4-morpholin-4-iumyl)-2-(4-propan-2-ylphenyl)ethyl]-3-isoxazolecarboxamide IUPAC Name: 5-(4-bromophenyl)-N-[(2R)-2-morpholin-4-ium-4-yl-2-(4-propan-2-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-(4-bromophenyl)-N-[(2R)-2-morpholin-4-ium-4-yl-2-p-cumenyl-ethyl]isoxazole-3-carboxamide Formula: C25H29BrN3O3+ MolecularWeight: 499.42006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(CNC(=O)C2=NOC(=C2)C3=CC=C(C=C3)Br)[NH+]4CCOCC4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)[C@H](CNC(=O)C2=NOC(=C2)C3=CC=C(C=C3)Br)[NH+]4CCOCC4

InChI

InChI=1S/C25H28BrN3O3/c1-17(2)18-3-5-19(6-4-18)23(29-11-13-31-14-12-29)16-27-25(30)22-15-24(32-28-22)20-7-9-21(26)10-8-20/h3-10,15,17,23H,11-14,16H2,1-2H3,(H,27,30)/p+1/t23-/m0/s1