2-[2-cyanoethyl(phenyl)amino]ethyl-bis(2-hydroxyethyl)-methyl-azanium chloride

Systemtic Name: 2-[2-cyanoethyl(phenyl)amino]ethyl-bis(2-hydroxyethyl)-methyl-azanium chloride Openeye Name: 2-[N-(2-cyanoethyl)anilino]ethyl-bis(2-hydroxyethyl)-methyl-ammonium chloride CAS Name: 2-[N-(2-cyanoethyl)anilino]ethyl-bis(2-hydroxyethyl)-methylammonium chloride IUPAC Name: 2-[N-(2-cyanoethyl)anilino]ethyl-bis(2-hydroxyethyl)-methylazanium chloride Traditional Name: 2-[N-(2-cyanoethyl)anilino]ethyl-bis(2-hydroxyethyl)-methyl-ammonium chloride Formula: C16H26ClN3O2 MolecularWeight: 327.84954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](CCN(CCC#N)C1=CC=CC=C1)(CCO)CCO.[Cl-]

Isomeric SMILES

C[N+](CCN(CCC#N)C1=CC=CC=C1)(CCO)CCO.[Cl-]

InChI

InChI=1S/C16H26N3O2.ClH/c1-19(12-14-20,13-15-21)11-10-18(9-5-8-17)16-6-3-2-4-7-16;/h2-4,6-7,20-21H,5,9-15H2,1H3;1H/q+1;/p-1