N-[(2R)-2-(4-tert-butylphenyl)-2-morpholin-4-ium-4-yl-ethyl]-5-phenyl-1,2-oxazole-3-carboxamide

Systemtic Name: N-[(2R)-2-(4-tert-butylphenyl)-2-morpholin-4-ium-4-yl-ethyl]-5-phenyl-1,2-oxazole-3-carboxamide Openeye Name: N-[(2R)-2-(4-tert-butylphenyl)-2-morpholin-4-ium-4-yl-ethyl]-5-phenyl-isoxazole-3-carboxamide CAS Name: N-[(2R)-2-(4-tert-butylphenyl)-2-(4-morpholin-4-iumyl)ethyl]-5-phenyl-3-isoxazolecarboxamide IUPAC Name: N-[(2R)-2-(4-tert-butylphenyl)-2-morpholin-4-ium-4-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide Traditional Name: N-[(2R)-2-(4-tert-butylphenyl)-2-morpholin-4-ium-4-yl-ethyl]-5-phenyl-isoxazole-3-carboxamide Formula: C26H32N3O3+ MolecularWeight: 434.55058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N3O3/c1-26(2,3)21-11-9-19(10-12-21)23(29-13-15-31-16-14-29)18-27-25(30)22-17-24(32-28-22)20-7-5-4-6-8-20/h4-12,17,23H,13-16,18H2,1-3H3,(H,27,30)/p+1/t23-/m0/s1