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

Systemtic Name: 2-[3-(2,6-dimethylphenyl)-3-(3-pyridin-3-ylpropyl)-2H-imidazol-3-ium-1-yl]ethanamide Openeye Name: 2-[3-(2,6-dimethylphenyl)-3-[3-(3-pyridyl)propyl]-2H-imidazol-3-ium-1-yl]acetamide CAS Name: 2-[3-(2,6-dimethylphenyl)-3-[3-(3-pyridinyl)propyl]-2H-imidazol-3-ium-1-yl]acetamide IUPAC Name: 2-[3-(2,6-dimethylphenyl)-3-(3-pyridin-3-ylpropyl)-2H-imidazol-3-ium-1-yl]acetamide Traditional Name: 2-[3-(2,6-dimethylphenyl)-3-[3-(3-pyridyl)propyl]-4-imidazolin-3-ium-1-yl]acetamide Formula: C21H27N4O+ MolecularWeight: 351.46528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)[N+]2(CN(C=C2)CC(=O)N)CCCC3=CN=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C)[N+]2(CN(C=C2)CC(=O)N)CCCC3=CN=CC=C3

InChI

InChI=1S/C21H26N4O/c1-17-6-3-7-18(2)21(17)25(13-11-24(16-25)15-20(22)26)12-5-9-19-8-4-10-23-14-19/h3-4,6-8,10-11,13-14H,5,9,12,15-16H2,1-2H3,(H-,22,26)/p+1