(5E)-2-(4-methylpiperazin-4-ium-1-yl)-5-[(4-prop-2-enoxyphenyl)methylidene]-1,3-thiazol-4-one

Systemtic Name: (5E)-2-(4-methylpiperazin-4-ium-1-yl)-5-[(4-prop-2-enoxyphenyl)methylidene]-1,3-thiazol-4-one Openeye Name: (5E)-5-[(4-allyloxyphenyl)methylene]-2-(4-methylpiperazin-4-ium-1-yl)thiazol-4-one CAS Name: (5E)-2-(4-methyl-1-piperazin-4-iumyl)-5-[(4-prop-2-enoxyphenyl)methylidene]-4-thiazolone IUPAC Name: (5E)-2-(4-methylpiperazin-4-ium-1-yl)-5-[(4-prop-2-enoxyphenyl)methylidene]-1,3-thiazol-4-one Traditional Name: (5E)-5-(4-allyloxybenzylidene)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiazolin-4-one Formula: C18H22N3O2S+ MolecularWeight: 344.45118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O2S/c1-3-12-23-15-6-4-14(5-7-15)13-16-17(22)19-18(24-16)21-10-8-20(2)9-11-21/h3-7,13H,1,8-12H2,2H3/p+1/b16-13+