2-[3-(2,6-dimethylphenyl)-3-(2-pyridin-3-ylethyl)-2H-imidazol-3-ium-1-yl]ethanamide

Systemtic Name: 2-[3-(2,6-dimethylphenyl)-3-(2-pyridin-3-ylethyl)-2H-imidazol-3-ium-1-yl]ethanamide Openeye Name: 2-[3-(2,6-dimethylphenyl)-3-[2-(3-pyridyl)ethyl]-2H-imidazol-3-ium-1-yl]acetamide CAS Name: 2-[3-(2,6-dimethylphenyl)-3-[2-(3-pyridinyl)ethyl]-2H-imidazol-3-ium-1-yl]acetamide IUPAC Name: 2-[3-(2,6-dimethylphenyl)-3-(2-pyridin-3-ylethyl)-2H-imidazol-3-ium-1-yl]acetamide Traditional Name: 2-[3-(2,6-dimethylphenyl)-3-[2-(3-pyridyl)ethyl]-4-imidazolin-3-ium-1-yl]acetamide Formula: C20H25N4O+ MolecularWeight: 337.4387

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)[N+]2(CN(C=C2)CC(=O)N)CCC3=CN=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C)[N+]2(CN(C=C2)CC(=O)N)CCC3=CN=CC=C3

InChI

InChI=1S/C20H24N4O/c1-16-5-3-6-17(2)20(16)24(11-8-18-7-4-9-22-13-18)12-10-23(15-24)14-19(21)25/h3-7,9-10,12-13H,8,11,14-15H2,1-2H3,(H-,21,25)/p+1