5-(4-ethylpiperazin-4-ium-1-yl)-2-[(2-fluoranylphenoxy)methyl]-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-(4-ethylpiperazin-4-ium-1-yl)-2-[(2-fluoranylphenoxy)methyl]-1,3-oxazole-4-carbonitrile Openeye Name: 5-(4-ethylpiperazin-4-ium-1-yl)-2-[(2-fluorophenoxy)methyl]oxazole-4-carbonitrile CAS Name: 5-(4-ethyl-1-piperazin-4-iumyl)-2-[(2-fluorophenoxy)methyl]-4-oxazolecarbonitrile IUPAC Name: 5-(4-ethylpiperazin-4-ium-1-yl)-2-[(2-fluorophenoxy)methyl]-1,3-oxazole-4-carbonitrile Traditional Name: 5-(4-ethylpiperazin-4-ium-1-yl)-2-[(2-fluorophenoxy)methyl]oxazole-4-carbonitrile Formula: C17H20FN4O2+ MolecularWeight: 331.364703

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(N=C(O2)COC3=CC=CC=C3F)C#N

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(N=C(O2)COC3=CC=CC=C3F)C#N

InChI

InChI=1S/C17H19FN4O2/c1-2-21-7-9-22(10-8-21)17-14(11-19)20-16(24-17)12-23-15-6-4-3-5-13(15)18/h3-6H,2,7-10,12H2,1H3/p+1