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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C[NH+]2CCN(CC2)CC3=C(C=CC(=C3)C#N)F

Isomeric SMILES

CC1=CC(=NO1)C[NH+]2CCN(CC2)CC3=C(C=CC(=C3)C#N)F

InChI

InChI=1S/C17H19FN4O/c1-13-8-16(20-23-13)12-22-6-4-21(5-7-22)11-15-9-14(10-19)2-3-17(15)18/h2-3,8-9H,4-7,11-12H2,1H3/p+1