(5-cyano-2-fluoranyl-phenyl)methyl-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium

Systemtic Name: (5-cyano-2-fluoranyl-phenyl)methyl-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium Openeye Name: (5-cyano-2-fluoro-phenyl)methyl-propyl-[[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]methyl]ammonium CAS Name: (5-cyano-2-fluorophenyl)methyl-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ammonium IUPAC Name: (5-cyano-2-fluorophenyl)methyl-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium Traditional Name: (5-cyano-2-fluoro-benzyl)-propyl-[[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]methyl]ammonium Formula: C18H18FN4OS+ MolecularWeight: 357.425123

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CC1=C(C=CC(=C1)C#N)F)CC2=NN=C(O2)C3=CC=CS3

Isomeric SMILES

CCC[NH+](CC1=C(C=CC(=C1)C#N)F)CC2=NN=C(O2)C3=CC=CS3

InChI

InChI=1S/C18H17FN4OS/c1-2-7-23(11-14-9-13(10-20)5-6-15(14)19)12-17-21-22-18(24-17)16-4-3-8-25-16/h3-6,8-9H,2,7,11-12H2,1H3/p+1