2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-4-ium-1-yl]-6-fluoranyl-benzenecarbonitrile

Systemtic Name: 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-4-ium-1-yl]-6-fluoranyl-benzenecarbonitrile Openeye Name: 2-[4-[(3,5-dimethylisoxazol-4-yl)methyl]piperazin-4-ium-1-yl]-6-fluoro-benzonitrile CAS Name: 2-[4-[(3,5-dimethyl-4-isoxazolyl)methyl]-1-piperazin-4-iumyl]-6-fluorobenzonitrile IUPAC Name: 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-4-ium-1-yl]-6-fluorobenzonitrile Traditional Name: 2-[4-[(3,5-dimethylisoxazol-4-yl)methyl]piperazin-4-ium-1-yl]-6-fluoro-benzonitrile Formula: C17H20FN4O+ MolecularWeight: 315.365303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)C[NH+]2CCN(CC2)C3=C(C(=CC=C3)F)C#N

Isomeric SMILES

CC1=C(C(=NO1)C)C[NH+]2CCN(CC2)C3=C(C(=CC=C3)F)C#N

InChI

InChI=1S/C17H19FN4O/c1-12-15(13(2)23-20-12)11-21-6-8-22(9-7-21)17-5-3-4-16(18)14(17)10-19/h3-5H,6-9,11H2,1-2H3/p+1