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

Systemtic Name: 2-[2-(3-chlorophenyl)-5-methyl-1H-imidazol-4-yl]ethyl-[2-(2-cyanopyrrolidin-1-yl)-2-oxidanylidene-ethyl]-dimethyl-azanium Openeye Name: 2-[2-(3-chlorophenyl)-5-methyl-1H-imidazol-4-yl]ethyl-[2-(2-cyanopyrrolidin-1-yl)-2-oxo-ethyl]-dimethyl-ammonium CAS Name: 2-[2-(3-chlorophenyl)-5-methyl-1H-imidazol-4-yl]ethyl-[2-(2-cyano-1-pyrrolidinyl)-2-oxoethyl]-dimethylammonium IUPAC Name: 2-[2-(3-chlorophenyl)-5-methyl-1H-imidazol-4-yl]ethyl-[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]-dimethylazanium Traditional Name: 2-[2-(3-chlorophenyl)-5-methyl-1H-imidazol-4-yl]ethyl-[2-(2-cyanopyrrolidino)-2-keto-ethyl]-dimethyl-ammonium Formula: C21H27ClN5O+ MolecularWeight: 400.92498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN5O/c1-15-19(25-21(24-15)16-6-4-7-17(22)12-16)9-11-27(2,3)14-20(28)26-10-5-8-18(26)13-23/h4,6-7,12,18H,5,8-11,14H2,1-3H3,(H,24,25)/q+1