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

Systemtic Name: 3-[[4-cyano-2-[(2-fluoranylphenoxy)methyl]-1,3-oxazol-5-yl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[4-cyano-2-[(2-fluorophenoxy)methyl]oxazol-5-yl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[4-cyano-2-[(2-fluorophenoxy)methyl]-5-oxazolyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-cyano-2-[(2-fluorophenoxy)methyl]-1,3-oxazol-5-yl]amino]propyl-dimethylazanium Traditional Name: 3-[[4-cyano-2-[(2-fluorophenoxy)methyl]oxazol-5-yl]amino]propyl-dimethyl-ammonium Formula: C16H20FN4O2+ MolecularWeight: 319.354003

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC1=C(N=C(O1)COC2=CC=CC=C2F)C#N

Isomeric SMILES

C[NH+](C)CCCNC1=C(N=C(O1)COC2=CC=CC=C2F)C#N

InChI

InChI=1S/C16H19FN4O2/c1-21(2)9-5-8-19-16-13(10-18)20-15(23-16)11-22-14-7-4-3-6-12(14)17/h3-4,6-7,19H,5,8-9,11H2,1-2H3/p+1