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

Systemtic Name: 2-[4-chloranyl-2-[2-(2-cyanoethanoylamino)ethyl]phenoxy]ethyl-dimethyl-azanium Openeye Name: 2-[4-chloro-2-[2-[(2-cyanoacetyl)amino]ethyl]phenoxy]ethyl-dimethyl-ammonium CAS Name: 2-[4-chloro-2-[2-[(2-cyano-1-oxoethyl)amino]ethyl]phenoxy]ethyl-dimethylammonium IUPAC Name: 2-[4-chloro-2-[2-[(2-cyanoacetyl)amino]ethyl]phenoxy]ethyl-dimethylazanium Traditional Name: 2-[4-chloro-2-[2-[(2-cyanoacetyl)amino]ethyl]phenoxy]ethyl-dimethyl-ammonium Formula: C15H21ClN3O2+ MolecularWeight: 310.79914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20ClN3O2/c1-19(2)9-10-21-14-4-3-13(16)11-12(14)6-8-18-15(20)5-7-17/h3-4,11H,5-6,8-10H2,1-2H3,(H,18,20)/p+1