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

Systemtic Name: 2-[[4-cyano-2-(4-ethoxyphenyl)-1,3-oxazol-5-yl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[4-cyano-2-(4-ethoxyphenyl)oxazol-5-yl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[4-cyano-2-(4-ethoxyphenyl)-5-oxazolyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[4-cyano-2-(4-ethoxyphenyl)-1,3-oxazol-5-yl]amino]ethyl-dimethylazanium Traditional Name: 2-[(4-cyano-2-p-phenetyl-oxazol-5-yl)amino]ethyl-dimethyl-ammonium Formula: C16H21N4O2+ MolecularWeight: 301.36354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC(=C(O2)NCC[NH+](C)C)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC(=C(O2)NCC[NH+](C)C)C#N

InChI

InChI=1S/C16H20N4O2/c1-4-21-13-7-5-12(6-8-13)15-19-14(11-17)16(22-15)18-9-10-20(2)3/h5-8,18H,4,9-10H2,1-3H3/p+1