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

Systemtic Name: 3-[[4-cyano-2-(4-ethoxyphenyl)-1,3-oxazol-5-yl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[4-cyano-2-(4-ethoxyphenyl)oxazol-5-yl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[4-cyano-2-(4-ethoxyphenyl)-5-oxazolyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-cyano-2-(4-ethoxyphenyl)-1,3-oxazol-5-yl]amino]propyl-dimethylazanium Traditional Name: 3-[(4-cyano-2-p-phenetyl-oxazol-5-yl)amino]propyl-dimethyl-ammonium Formula: C17H23N4O2+ MolecularWeight: 315.39012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O2/c1-4-22-14-8-6-13(7-9-14)16-20-15(12-18)17(23-16)19-10-5-11-21(2)3/h6-9,19H,4-5,10-11H2,1-3H3/p+1