2-(4-fluorophenyl)-5-[(4-methylpiperazin-4-ium-1-yl)amino]-1,3-oxazole-4-carbonitrile

Systemtic Name: 2-(4-fluorophenyl)-5-[(4-methylpiperazin-4-ium-1-yl)amino]-1,3-oxazole-4-carbonitrile Openeye Name: 2-(4-fluorophenyl)-5-[(4-methylpiperazin-4-ium-1-yl)amino]oxazole-4-carbonitrile CAS Name: 2-(4-fluorophenyl)-5-[(4-methyl-1-piperazin-4-iumyl)amino]-4-oxazolecarbonitrile IUPAC Name: 2-(4-fluorophenyl)-5-[(4-methylpiperazin-4-ium-1-yl)amino]-1,3-oxazole-4-carbonitrile Traditional Name: 2-(4-fluorophenyl)-5-[(4-methylpiperazin-4-ium-1-yl)amino]oxazole-4-carbonitrile Formula: C15H17FN5O+ MolecularWeight: 302.326783

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC2=C(N=C(O2)C3=CC=C(C=C3)F)C#N

Isomeric SMILES

C[NH+]1CCN(CC1)NC2=C(N=C(O2)C3=CC=C(C=C3)F)C#N

InChI

InChI=1S/C15H16FN5O/c1-20-6-8-21(9-7-20)19-15-13(10-17)18-14(22-15)11-2-4-12(16)5-3-11/h2-5,19H,6-9H2,1H3/p+1