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

Systemtic Name: 3-[[4-cyano-2-(4-phenylmethoxyphenyl)-1,3-oxazol-5-yl]amino]propyl-diethyl-azanium Openeye Name: 3-[[2-(4-benzyloxyphenyl)-4-cyano-oxazol-5-yl]amino]propyl-diethyl-ammonium CAS Name: 3-[[4-cyano-2-(4-phenylmethoxyphenyl)-5-oxazolyl]amino]propyl-diethylammonium IUPAC Name: 3-[[4-cyano-2-(4-phenylmethoxyphenyl)-1,3-oxazol-5-yl]amino]propyl-diethylazanium Traditional Name: 3-[[2-(4-benzoxyphenyl)-4-cyano-oxazol-5-yl]amino]propyl-diethyl-ammonium Formula: C24H29N4O2+ MolecularWeight: 405.51266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC1=C(N=C(O1)C2=CC=C(C=C2)OCC3=CC=CC=C3)C#N

Isomeric SMILES

CC[NH+](CC)CCCNC1=C(N=C(O1)C2=CC=C(C=C2)OCC3=CC=CC=C3)C#N

InChI

InChI=1S/C24H28N4O2/c1-3-28(4-2)16-8-15-26-24-22(17-25)27-23(30-24)20-11-13-21(14-12-20)29-18-19-9-6-5-7-10-19/h5-7,9-14,26H,3-4,8,15-16,18H2,1-2H3/p+1