2-[3-[(2-cyanoethanoylamino)methyl]phenoxy]ethyl-diethyl-azanium

Systemtic Name: 2-[3-[(2-cyanoethanoylamino)methyl]phenoxy]ethyl-diethyl-azanium Openeye Name: 2-[3-[[(2-cyanoacetyl)amino]methyl]phenoxy]ethyl-diethyl-ammonium CAS Name: 2-[3-[[(2-cyano-1-oxoethyl)amino]methyl]phenoxy]ethyl-diethylammonium IUPAC Name: 2-[3-[[(2-cyanoacetyl)amino]methyl]phenoxy]ethyl-diethylazanium Traditional Name: 2-[3-[[(2-cyanoacetyl)amino]methyl]phenoxy]ethyl-diethyl-ammonium Formula: C16H24N3O2+ MolecularWeight: 290.38066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCOC1=CC=CC(=C1)CNC(=O)CC#N

Isomeric SMILES

CC[NH+](CC)CCOC1=CC=CC(=C1)CNC(=O)CC#N

InChI

InChI=1S/C16H23N3O2/c1-3-19(4-2)10-11-21-15-7-5-6-14(12-15)13-18-16(20)8-9-17/h5-7,12H,3-4,8,10-11,13H2,1-2H3,(H,18,20)/p+1