2-[2-chloranyl-4-[(2-cyanoethanoylamino)methyl]-6-methoxy-phenoxy]ethyl-dimethyl-azanium

Systemtic Name: 2-[2-chloranyl-4-[(2-cyanoethanoylamino)methyl]-6-methoxy-phenoxy]ethyl-dimethyl-azanium Openeye Name: 2-[2-chloro-4-[[(2-cyanoacetyl)amino]methyl]-6-methoxy-phenoxy]ethyl-dimethyl-ammonium CAS Name: 2-[2-chloro-4-[[(2-cyano-1-oxoethyl)amino]methyl]-6-methoxyphenoxy]ethyl-dimethylammonium IUPAC Name: 2-[2-chloro-4-[[(2-cyanoacetyl)amino]methyl]-6-methoxyphenoxy]ethyl-dimethylazanium Traditional Name: 2-[2-chloro-4-[[(2-cyanoacetyl)amino]methyl]-6-methoxy-phenoxy]ethyl-dimethyl-ammonium Formula: C15H21ClN3O3+ MolecularWeight: 326.79854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCOC1=C(C=C(C=C1Cl)CNC(=O)CC#N)OC

Isomeric SMILES

C[NH+](C)CCOC1=C(C=C(C=C1Cl)CNC(=O)CC#N)OC

InChI

InChI=1S/C15H20ClN3O3/c1-19(2)6-7-22-15-12(16)8-11(9-13(15)21-3)10-18-14(20)4-5-17/h8-9H,4,6-7,10H2,1-3H3,(H,18,20)/p+1