N-[4-(5,6-dimethyl-1,3-benzoxazol-3-ium-2-yl)-3-oxidanyl-phenyl]-2-(4-ethylphenoxy)ethanamide

Systemtic Name: N-[4-(5,6-dimethyl-1,3-benzoxazol-3-ium-2-yl)-3-oxidanyl-phenyl]-2-(4-ethylphenoxy)ethanamide Openeye Name: N-[4-(5,6-dimethyl-1,3-benzoxazol-3-ium-2-yl)-3-hydroxy-phenyl]-2-(4-ethylphenoxy)acetamide CAS Name: N-[4-(5,6-dimethyl-1,3-benzoxazol-3-ium-2-yl)-3-hydroxyphenyl]-2-(4-ethylphenoxy)acetamide IUPAC Name: N-[4-(5,6-dimethyl-1,3-benzoxazol-3-ium-2-yl)-3-hydroxyphenyl]-2-(4-ethylphenoxy)acetamide Traditional Name: N-[4-(5,6-dimethyl-1,3-benzoxazol-3-ium-2-yl)-3-hydroxy-phenyl]-2-(4-ethylphenoxy)acetamide Formula: C25H25N2O4+ MolecularWeight: 417.477

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(=O)NC2=CC(=C(C=C2)C3=[NH+]C4=C(O3)C=C(C(=C4)C)C)O

Isomeric SMILES

CCC1=CC=C(C=C1)OCC(=O)NC2=CC(=C(C=C2)C3=[NH+]C4=C(O3)C=C(C(=C4)C)C)O

InChI

InChI=1S/C25H24N2O4/c1-4-17-5-8-19(9-6-17)30-14-24(29)26-18-7-10-20(22(28)13-18)25-27-21-11-15(2)16(3)12-23(21)31-25/h5-13,28H,4,14H2,1-3H3,(H,26,29)/p+1