2-[2-(3-acetamidophenyl)-5-methyl-1H-imidazol-4-yl]ethyl-[2-(2-cyanopyrrolidin-1-yl)-2-oxidanylidene-ethyl]-dimethyl-azanium

Systemtic Name: 2-[2-(3-acetamidophenyl)-5-methyl-1H-imidazol-4-yl]ethyl-[2-(2-cyanopyrrolidin-1-yl)-2-oxidanylidene-ethyl]-dimethyl-azanium Openeye Name: 2-[2-(3-acetamidophenyl)-5-methyl-1H-imidazol-4-yl]ethyl-[2-(2-cyanopyrrolidin-1-yl)-2-oxo-ethyl]-dimethyl-ammonium CAS Name: 2-[2-(3-acetamidophenyl)-5-methyl-1H-imidazol-4-yl]ethyl-[2-(2-cyano-1-pyrrolidinyl)-2-oxoethyl]-dimethylammonium IUPAC Name: 2-[2-(3-acetamidophenyl)-5-methyl-1H-imidazol-4-yl]ethyl-[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]-dimethylazanium Traditional Name: 2-[2-(3-acetamidophenyl)-5-methyl-1H-imidazol-4-yl]ethyl-[2-(2-cyanopyrrolidino)-2-keto-ethyl]-dimethyl-ammonium Formula: C23H31N6O2+ MolecularWeight: 423.53124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N1)C2=CC(=CC=C2)NC(=O)C)CC[N+](C)(C)CC(=O)N3CCCC3C#N

Isomeric SMILES

CC1=C(N=C(N1)C2=CC(=CC=C2)NC(=O)C)CC[N+](C)(C)CC(=O)N3CCCC3C#N

InChI

InChI=1S/C23H30N6O2/c1-16-21(27-23(25-16)18-7-5-8-19(13-18)26-17(2)30)10-12-29(3,4)15-22(31)28-11-6-9-20(28)14-24/h5,7-8,13,20H,6,9-12,15H2,1-4H3,(H-,25,26,27,30)/p+1