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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)C3=[NH+]C4=C(O3)C=C(C(=C4)C)C)O

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)C3=[NH+]C4=C(O3)C=C(C(=C4)C)C)O

InChI

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