3-[2-chloranyl-4-[2-(2-cyanoethanoylamino)ethyl]-6-ethoxy-phenoxy]propyl-dimethyl-azanium

Systemtic Name: 3-[2-chloranyl-4-[2-(2-cyanoethanoylamino)ethyl]-6-ethoxy-phenoxy]propyl-dimethyl-azanium Openeye Name: 3-[2-chloro-4-[2-[(2-cyanoacetyl)amino]ethyl]-6-ethoxy-phenoxy]propyl-dimethyl-ammonium CAS Name: 3-[2-chloro-4-[2-[(2-cyano-1-oxoethyl)amino]ethyl]-6-ethoxyphenoxy]propyl-dimethylammonium IUPAC Name: 3-[2-chloro-4-[2-[(2-cyanoacetyl)amino]ethyl]-6-ethoxyphenoxy]propyl-dimethylazanium Traditional Name: 3-[2-chloro-4-[2-[(2-cyanoacetyl)amino]ethyl]-6-ethoxy-phenoxy]propyl-dimethyl-ammonium Formula: C18H27ClN3O3+ MolecularWeight: 368.87828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26ClN3O3/c1-4-24-16-13-14(7-9-21-17(23)6-8-20)12-15(19)18(16)25-11-5-10-22(2)3/h12-13H,4-7,9-11H2,1-3H3,(H,21,23)/p+1