N-[4-(1,3-benzoxazol-3-ium-2-yl)-3-oxidanyl-phenyl]-2-methyl-propanamide

Systemtic Name: N-[4-(1,3-benzoxazol-3-ium-2-yl)-3-oxidanyl-phenyl]-2-methyl-propanamide Openeye Name: N-[4-(1,3-benzoxazol-3-ium-2-yl)-3-hydroxy-phenyl]-2-methyl-propanamide CAS Name: N-[4-(1,3-benzoxazol-3-ium-2-yl)-3-hydroxyphenyl]-2-methylpropanamide IUPAC Name: N-[4-(1,3-benzoxazol-3-ium-2-yl)-3-hydroxyphenyl]-2-methylpropanamide Traditional Name: N-[4-(1,3-benzoxazol-3-ium-2-yl)-3-hydroxy-phenyl]-2-methyl-propionamide Formula: C17H17N2O3+ MolecularWeight: 297.32848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC(=C(C=C1)C2=[NH+]C3=CC=CC=C3O2)O

Isomeric SMILES

CC(C)C(=O)NC1=CC(=C(C=C1)C2=[NH+]C3=CC=CC=C3O2)O

InChI

InChI=1S/C17H16N2O3/c1-10(2)16(21)18-11-7-8-12(14(20)9-11)17-19-13-5-3-4-6-15(13)22-17/h3-10,20H,1-2H3,(H,18,21)/p+1