N-methyl-N-(2-morpholin-4-ium-4-ylethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole-5-carboxamide

Systemtic Name: N-methyl-N-(2-morpholin-4-ium-4-ylethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole-5-carboxamide Openeye Name: N-methyl-N-(2-morpholin-4-ium-4-ylethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole-5-carboxamide CAS Name: N-methyl-N-[2-(4-morpholin-4-iumyl)ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole-5-carboxamide IUPAC Name: N-methyl-N-(2-morpholin-4-ium-4-ylethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole-5-carboxamide Traditional Name: N-methyl-N-(2-morpholin-4-ium-4-ylethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole-5-carboxamide Formula: C22H23F3N3O3+ MolecularWeight: 434.43153

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC[NH+]1CCOCC1)C(=O)C2=CC3=C(C=C2)OC(=N3)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

CN(CC[NH+]1CCOCC1)C(=O)C2=CC3=C(C=C2)OC(=N3)C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C22H22F3N3O3/c1-27(8-9-28-10-12-30-13-11-28)21(29)16-4-7-19-18(14-16)26-20(31-19)15-2-5-17(6-3-15)22(23,24)25/h2-7,14H,8-13H2,1H3/p+1