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

Systemtic Name: 2-[4-chloranyl-2-[2-(2-cyanoethanoylamino)ethyl]phenoxy]ethyl-diethyl-azanium Openeye Name: 2-[4-chloro-2-[2-[(2-cyanoacetyl)amino]ethyl]phenoxy]ethyl-diethyl-ammonium CAS Name: 2-[4-chloro-2-[2-[(2-cyano-1-oxoethyl)amino]ethyl]phenoxy]ethyl-diethylammonium IUPAC Name: 2-[4-chloro-2-[2-[(2-cyanoacetyl)amino]ethyl]phenoxy]ethyl-diethylazanium Traditional Name: 2-[4-chloro-2-[2-[(2-cyanoacetyl)amino]ethyl]phenoxy]ethyl-diethyl-ammonium Formula: C17H25ClN3O2+ MolecularWeight: 338.8523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24ClN3O2/c1-3-21(4-2)11-12-23-16-6-5-15(18)13-14(16)8-10-20-17(22)7-9-19/h5-6,13H,3-4,7-8,10-12H2,1-2H3,(H,20,22)/p+1