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

Systemtic Name: N-[(2R)-2-(4-tert-butylphenyl)-2-morpholin-4-ium-4-yl-ethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide Openeye Name: N-[(2R)-2-(4-tert-butylphenyl)-2-morpholin-4-ium-4-yl-ethyl]-5-(p-tolyl)isoxazole-3-carboxamide CAS Name: N-[(2R)-2-(4-tert-butylphenyl)-2-(4-morpholin-4-iumyl)ethyl]-5-(4-methylphenyl)-3-isoxazolecarboxamide IUPAC Name: N-[(2R)-2-(4-tert-butylphenyl)-2-morpholin-4-ium-4-ylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide Traditional Name: N-[(2R)-2-(4-tert-butylphenyl)-2-morpholin-4-ium-4-yl-ethyl]-5-(p-tolyl)isoxazole-3-carboxamide Formula: C27H34N3O3+ MolecularWeight: 448.57716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCC(C3=CC=C(C=C3)C(C)(C)C)[NH+]4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NC[C@@H](C3=CC=C(C=C3)C(C)(C)C)[NH+]4CCOCC4

InChI

InChI=1S/C27H33N3O3/c1-19-5-7-21(8-6-19)25-17-23(29-33-25)26(31)28-18-24(30-13-15-32-16-14-30)20-9-11-22(12-10-20)27(2,3)4/h5-12,17,24H,13-16,18H2,1-4H3,(H,28,31)/p+1/t24-/m0/s1