2-[2-[2-(2-cyanoethanoylamino)ethyl]-6-methoxy-phenoxy]ethyl-dimethyl-azanium

Systemtic Name: 2-[2-[2-(2-cyanoethanoylamino)ethyl]-6-methoxy-phenoxy]ethyl-dimethyl-azanium Openeye Name: 2-[2-[2-[(2-cyanoacetyl)amino]ethyl]-6-methoxy-phenoxy]ethyl-dimethyl-ammonium CAS Name: 2-[2-[2-[(2-cyano-1-oxoethyl)amino]ethyl]-6-methoxyphenoxy]ethyl-dimethylammonium IUPAC Name: 2-[2-[2-[(2-cyanoacetyl)amino]ethyl]-6-methoxyphenoxy]ethyl-dimethylazanium Traditional Name: 2-[2-[2-[(2-cyanoacetyl)amino]ethyl]-6-methoxy-phenoxy]ethyl-dimethyl-ammonium Formula: C16H24N3O3+ MolecularWeight: 306.38006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCOC1=C(C=CC=C1OC)CCNC(=O)CC#N

Isomeric SMILES

C[NH+](C)CCOC1=C(C=CC=C1OC)CCNC(=O)CC#N

InChI

InChI=1S/C16H23N3O3/c1-19(2)11-12-22-16-13(5-4-6-14(16)21-3)8-10-18-15(20)7-9-17/h4-6H,7-8,10-12H2,1-3H3,(H,18,20)/p+1