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

Systemtic Name: 2-[4-chloranyl-2-[(2-cyanoethanoylamino)methyl]phenoxy]ethyl-diethyl-azanium Openeye Name: 2-[4-chloro-2-[[(2-cyanoacetyl)amino]methyl]phenoxy]ethyl-diethyl-ammonium CAS Name: 2-[4-chloro-2-[[(2-cyano-1-oxoethyl)amino]methyl]phenoxy]ethyl-diethylammonium IUPAC Name: 2-[4-chloro-2-[[(2-cyanoacetyl)amino]methyl]phenoxy]ethyl-diethylazanium Traditional Name: 2-[4-chloro-2-[[(2-cyanoacetyl)amino]methyl]phenoxy]ethyl-diethyl-ammonium Formula: C16H23ClN3O2+ MolecularWeight: 324.82572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22ClN3O2/c1-3-20(4-2)9-10-22-15-6-5-14(17)11-13(15)12-19-16(21)7-8-18/h5-6,11H,3-4,7,9-10,12H2,1-2H3,(H,19,21)/p+1