2-[4-[(2-cyanoethanoylamino)methyl]phenoxy]ethyl-diethyl-azanium

Systemtic Name: 2-[4-[(2-cyanoethanoylamino)methyl]phenoxy]ethyl-diethyl-azanium Openeye Name: 2-[4-[[(2-cyanoacetyl)amino]methyl]phenoxy]ethyl-diethyl-ammonium CAS Name: 2-[4-[[(2-cyano-1-oxoethyl)amino]methyl]phenoxy]ethyl-diethylammonium IUPAC Name: 2-[4-[[(2-cyanoacetyl)amino]methyl]phenoxy]ethyl-diethylazanium Traditional Name: 2-[4-[[(2-cyanoacetyl)amino]methyl]phenoxy]ethyl-diethyl-ammonium Formula: C16H24N3O2+ MolecularWeight: 290.38066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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