2-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]-6-fluoranyl-benzenecarbonitrile

Systemtic Name: 2-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]-6-fluoranyl-benzenecarbonitrile Openeye Name: 2-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]-6-fluoro-benzonitrile CAS Name: 2-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-1-piperazin-4-iumyl]-6-fluorobenzonitrile IUPAC Name: 2-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]-6-fluorobenzonitrile Traditional Name: 2-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]-6-fluoro-benzonitrile Formula: C18H23FN5O+ MolecularWeight: 344.406523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NOC(=N1)C[NH+]2CCN(CC2)C3=C(C(=CC=C3)F)C#N

Isomeric SMILES

CC(C)(C)C1=NOC(=N1)C[NH+]2CCN(CC2)C3=C(C(=CC=C3)F)C#N

InChI

InChI=1S/C18H22FN5O/c1-18(2,3)17-21-16(25-22-17)12-23-7-9-24(10-8-23)15-6-4-5-14(19)13(15)11-20/h4-6H,7-10,12H2,1-3H3/p+1