(5Z)-5-[(4-tert-butylphenyl)methylidene]-2-(4-ethylpiperazin-4-ium-1-yl)-1,3-thiazol-4-one

Systemtic Name: (5Z)-5-[(4-tert-butylphenyl)methylidene]-2-(4-ethylpiperazin-4-ium-1-yl)-1,3-thiazol-4-one Openeye Name: (5Z)-5-[(4-tert-butylphenyl)methylene]-2-(4-ethylpiperazin-4-ium-1-yl)thiazol-4-one CAS Name: (5Z)-5-[(4-tert-butylphenyl)methylidene]-2-(4-ethyl-1-piperazin-4-iumyl)-4-thiazolone IUPAC Name: (5Z)-5-[(4-tert-butylphenyl)methylidene]-2-(4-ethylpiperazin-4-ium-1-yl)-1,3-thiazol-4-one Traditional Name: (5Z)-5-(4-tert-butylbenzylidene)-2-(4-ethylpiperazin-4-ium-1-yl)-2-thiazolin-4-one Formula: C20H28N3OS+ MolecularWeight: 358.52082

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC(=O)C(=CC3=CC=C(C=C3)C(C)(C)C)S2

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC(=O)/C(=C/C3=CC=C(C=C3)C(C)(C)C)/S2

InChI

InChI=1S/C20H27N3OS/c1-5-22-10-12-23(13-11-22)19-21-18(24)17(25-19)14-15-6-8-16(9-7-15)20(2,3)4/h6-9,14H,5,10-13H2,1-4H3/p+1/b17-14-