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

Systemtic Name: 2-(4-tert-butylphenyl)-5-(4-ethylpiperazin-4-ium-1-yl)-1,3-oxazole-4-carbonitrile Openeye Name: 2-(4-tert-butylphenyl)-5-(4-ethylpiperazin-4-ium-1-yl)oxazole-4-carbonitrile CAS Name: 2-(4-tert-butylphenyl)-5-(4-ethyl-1-piperazin-4-iumyl)-4-oxazolecarbonitrile IUPAC Name: 2-(4-tert-butylphenyl)-5-(4-ethylpiperazin-4-ium-1-yl)-1,3-oxazole-4-carbonitrile Traditional Name: 2-(4-tert-butylphenyl)-5-(4-ethylpiperazin-4-ium-1-yl)oxazole-4-carbonitrile Formula: C20H27N4O+ MolecularWeight: 339.45458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O/c1-5-23-10-12-24(13-11-23)19-17(14-21)22-18(25-19)15-6-8-16(9-7-15)20(2,3)4/h6-9H,5,10-13H2,1-4H3/p+1