N-[2-(1H-benzimidazol-3-ium-2-yl)phenyl]-2-methyl-propanamide

Systemtic Name: N-[2-(1H-benzimidazol-3-ium-2-yl)phenyl]-2-methyl-propanamide Openeye Name: N-[2-(1H-benzimidazol-3-ium-2-yl)phenyl]-2-methyl-propanamide CAS Name: N-[2-(1H-benzimidazol-3-ium-2-yl)phenyl]-2-methylpropanamide IUPAC Name: N-[2-(1H-benzimidazol-3-ium-2-yl)phenyl]-2-methylpropanamide Traditional Name: N-[2-(1H-benzimidazol-3-ium-2-yl)phenyl]-2-methyl-propionamide Formula: C17H18N3O+ MolecularWeight: 280.34432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=CC=C1C2=[NH+]C3=CC=CC=C3N2

Isomeric SMILES

CC(C)C(=O)NC1=CC=CC=C1C2=[NH+]C3=CC=CC=C3N2

InChI

InChI=1S/C17H17N3O/c1-11(2)17(21)20-13-8-4-3-7-12(13)16-18-14-9-5-6-10-15(14)19-16/h3-11H,1-2H3,(H,18,19)(H,20,21)/p+1