2-[[2-[(4-bromanylphenoxy)methyl]-4-cyano-1,3-oxazol-5-yl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[2-[(4-bromanylphenoxy)methyl]-4-cyano-1,3-oxazol-5-yl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[2-[(4-bromophenoxy)methyl]-4-cyano-oxazol-5-yl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[2-[(4-bromophenoxy)methyl]-4-cyano-5-oxazolyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[2-[(4-bromophenoxy)methyl]-4-cyano-1,3-oxazol-5-yl]amino]ethyl-dimethylazanium Traditional Name: 2-[[2-[(4-bromophenoxy)methyl]-4-cyano-oxazol-5-yl]amino]ethyl-dimethyl-ammonium Formula: C15H18BrN4O2+ MolecularWeight: 366.23302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC1=C(N=C(O1)COC2=CC=C(C=C2)Br)C#N

Isomeric SMILES

C[NH+](C)CCNC1=C(N=C(O1)COC2=CC=C(C=C2)Br)C#N

InChI

InChI=1S/C15H17BrN4O2/c1-20(2)8-7-18-15-13(9-17)19-14(22-15)10-21-12-5-3-11(16)4-6-12/h3-6,18H,7-8,10H2,1-2H3/p+1