5-(4-ethylpiperazin-4-ium-1-yl)-2-(4-fluorophenyl)-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-(4-ethylpiperazin-4-ium-1-yl)-2-(4-fluorophenyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-(4-ethylpiperazin-4-ium-1-yl)-2-(4-fluorophenyl)oxazole-4-carbonitrile CAS Name: 5-(4-ethyl-1-piperazin-4-iumyl)-2-(4-fluorophenyl)-4-oxazolecarbonitrile IUPAC Name: 5-(4-ethylpiperazin-4-ium-1-yl)-2-(4-fluorophenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(4-ethylpiperazin-4-ium-1-yl)-2-(4-fluorophenyl)oxazole-4-carbonitrile Formula: C16H18FN4O+ MolecularWeight: 301.338723

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(N=C(O2)C3=CC=C(C=C3)F)C#N

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(N=C(O2)C3=CC=C(C=C3)F)C#N

InChI

InChI=1S/C16H17FN4O/c1-2-20-7-9-21(10-8-20)16-14(11-18)19-15(22-16)12-3-5-13(17)6-4-12/h3-6H,2,7-10H2,1H3/p+1