(5E)-2-(4-methylpiperazin-4-ium-1-yl)-5-[(Z)-3-phenylprop-2-enylidene]-1,3-thiazol-4-one

Systemtic Name: (5E)-2-(4-methylpiperazin-4-ium-1-yl)-5-[(Z)-3-phenylprop-2-enylidene]-1,3-thiazol-4-one Openeye Name: (5E)-2-(4-methylpiperazin-4-ium-1-yl)-5-[(Z)-3-phenylprop-2-enylidene]thiazol-4-one CAS Name: (5E)-2-(4-methyl-1-piperazin-4-iumyl)-5-[(Z)-3-phenylprop-2-enylidene]-4-thiazolone IUPAC Name: (5E)-2-(4-methylpiperazin-4-ium-1-yl)-5-[(Z)-3-phenylprop-2-enylidene]-1,3-thiazol-4-one Traditional Name: (5E)-2-(4-methylpiperazin-4-ium-1-yl)-5-[(Z)-3-phenylprop-2-enylidene]-2-thiazolin-4-one Formula: C17H20N3OS+ MolecularWeight: 314.4252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3OS/c1-19-10-12-20(13-11-19)17-18-16(21)15(22-17)9-5-8-14-6-3-2-4-7-14/h2-9H,10-13H2,1H3/p+1/b8-5-,15-9+