3-(4-bromanyl-2-cyano-6-methoxy-phenoxy)propyl-dimethyl-azanium

Systemtic Name: 3-(4-bromanyl-2-cyano-6-methoxy-phenoxy)propyl-dimethyl-azanium Openeye Name: 3-(4-bromo-2-cyano-6-methoxy-phenoxy)propyl-dimethyl-ammonium CAS Name: 3-(4-bromo-2-cyano-6-methoxyphenoxy)propyl-dimethylammonium IUPAC Name: 3-(4-bromo-2-cyano-6-methoxyphenoxy)propyl-dimethylazanium Traditional Name: 3-(4-bromo-2-cyano-6-methoxy-phenoxy)propyl-dimethyl-ammonium Formula: C13H18BrN2O2+ MolecularWeight: 314.19822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCOC1=C(C=C(C=C1C#N)Br)OC

Isomeric SMILES

C[NH+](C)CCCOC1=C(C=C(C=C1C#N)Br)OC

InChI

InChI=1S/C13H17BrN2O2/c1-16(2)5-4-6-18-13-10(9-15)7-11(14)8-12(13)17-3/h7-8H,4-6H2,1-3H3/p+1