N-[2-(1H-benzimidazol-1-ium-1-yl)ethyl]-4-methoxy-benzamide chloride

Systemtic Name: N-[2-(1H-benzimidazol-1-ium-1-yl)ethyl]-4-methoxy-benzamide chloride Openeye Name: N-[2-(1H-benzimidazol-1-ium-1-yl)ethyl]-4-methoxy-benzamide chloride CAS Name: N-[2-(1H-benzimidazol-1-ium-1-yl)ethyl]-4-methoxybenzamide chloride IUPAC Name: N-[2-(1H-benzimidazol-1-ium-1-yl)ethyl]-4-methoxybenzamide chloride Traditional Name: N-[2-(1H-benzimidazol-1-ium-1-yl)ethyl]-4-methoxy-benzamide chloride Formula: C17H18ClN3O2 MolecularWeight: 331.79672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NCC[NH+]2C=NC3=CC=CC=C32.[Cl-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NCC[NH+]2C=NC3=CC=CC=C32.[Cl-]

InChI

InChI=1S/C17H17N3O2.ClH/c1-22-14-8-6-13(7-9-14)17(21)18-10-11-20-12-19-15-4-2-3-5-16(15)20;/h2-9,12H,10-11H2,1H3,(H,18,21);1H