2-[[5-(3-cyanophenyl)pyrimidin-2-yl]amino]ethyl-[2-(2-cyanopyrrolidin-1-yl)-2-oxidanylidene-ethyl]-dimethyl-azanium

Systemtic Name: 2-[[5-(3-cyanophenyl)pyrimidin-2-yl]amino]ethyl-[2-(2-cyanopyrrolidin-1-yl)-2-oxidanylidene-ethyl]-dimethyl-azanium Openeye Name: 2-[[5-(3-cyanophenyl)pyrimidin-2-yl]amino]ethyl-[2-(2-cyanopyrrolidin-1-yl)-2-oxo-ethyl]-dimethyl-ammonium CAS Name: 2-[[5-(3-cyanophenyl)-2-pyrimidinyl]amino]ethyl-[2-(2-cyano-1-pyrrolidinyl)-2-oxoethyl]-dimethylammonium IUPAC Name: 2-[[5-(3-cyanophenyl)pyrimidin-2-yl]amino]ethyl-[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]-dimethylazanium Traditional Name: 2-[[5-(3-cyanophenyl)pyrimidin-2-yl]amino]ethyl-[2-(2-cyanopyrrolidino)-2-keto-ethyl]-dimethyl-ammonium Formula: C22H26N7O+ MolecularWeight: 404.48814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCNC1=NC=C(C=N1)C2=CC=CC(=C2)C#N)CC(=O)N3CCCC3C#N

Isomeric SMILES

C[N+](C)(CCNC1=NC=C(C=N1)C2=CC=CC(=C2)C#N)CC(=O)N3CCCC3C#N

InChI

InChI=1S/C22H26N7O/c1-29(2,16-21(30)28-9-4-7-20(28)13-24)10-8-25-22-26-14-19(15-27-22)18-6-3-5-17(11-18)12-23/h3,5-6,11,14-15,20H,4,7-10,16H2,1-2H3,(H,25,26,27)/q+1