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

Systemtic Name: 2-[[5-(3-cyanophenyl)pyridin-2-yl]amino]ethyl-[2-(2-cyanopyrrolidin-1-yl)-2-oxidanylidene-ethyl]-dimethyl-azanium Openeye Name: 2-[[5-(3-cyanophenyl)-2-pyridyl]amino]ethyl-[2-(2-cyanopyrrolidin-1-yl)-2-oxo-ethyl]-dimethyl-ammonium CAS Name: 2-[[5-(3-cyanophenyl)-2-pyridinyl]amino]ethyl-[2-(2-cyano-1-pyrrolidinyl)-2-oxoethyl]-dimethylammonium IUPAC Name: 2-[[5-(3-cyanophenyl)pyridin-2-yl]amino]ethyl-[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]-dimethylazanium Traditional Name: 2-[[5-(3-cyanophenyl)-2-pyridyl]amino]ethyl-[2-(2-cyanopyrrolidino)-2-keto-ethyl]-dimethyl-ammonium Formula: C23H27N6O+ MolecularWeight: 403.50008

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCNC1=NC=C(C=C1)C2=CC=CC(=C2)C#N)CC(=O)N3CCCC3C#N

Isomeric SMILES

C[N+](C)(CCNC1=NC=C(C=C1)C2=CC=CC(=C2)C#N)CC(=O)N3CCCC3C#N

InChI

InChI=1S/C23H27N6O/c1-29(2,17-23(30)28-11-4-7-21(28)15-25)12-10-26-22-9-8-20(16-27-22)19-6-3-5-18(13-19)14-24/h3,5-6,8-9,13,16,21H,4,7,10-12,17H2,1-2H3,(H,26,27)/q+1