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

Systemtic Name: 2-[2-(3-chloranyl-4-methyl-phenyl)-5-methyl-1H-imidazol-4-yl]ethyl-[2-(2-cyanopyrrolidin-1-yl)-2-oxidanylidene-ethyl]-dimethyl-azanium Openeye Name: 2-[2-(3-chloro-4-methyl-phenyl)-5-methyl-1H-imidazol-4-yl]ethyl-[2-(2-cyanopyrrolidin-1-yl)-2-oxo-ethyl]-dimethyl-ammonium CAS Name: 2-[2-(3-chloro-4-methylphenyl)-5-methyl-1H-imidazol-4-yl]ethyl-[2-(2-cyano-1-pyrrolidinyl)-2-oxoethyl]-dimethylammonium IUPAC Name: 2-[2-(3-chloro-4-methylphenyl)-5-methyl-1H-imidazol-4-yl]ethyl-[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]-dimethylazanium Traditional Name: 2-[2-(3-chloro-4-methyl-phenyl)-5-methyl-1H-imidazol-4-yl]ethyl-[2-(2-cyanopyrrolidino)-2-keto-ethyl]-dimethyl-ammonium Formula: C22H29ClN5O+ MolecularWeight: 414.95156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC(=C(N2)C)CC[N+](C)(C)CC(=O)N3CCCC3C#N)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC(=C(N2)C)CC[N+](C)(C)CC(=O)N3CCCC3C#N)Cl

InChI

InChI=1S/C22H29ClN5O/c1-15-7-8-17(12-19(15)23)22-25-16(2)20(26-22)9-11-28(3,4)14-21(29)27-10-5-6-18(27)13-24/h7-8,12,18H,5-6,9-11,14H2,1-4H3,(H,25,26)/q+1