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

Systemtic Name: (5E)-5-[(3-methoxyphenyl)methylidene]-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-one Openeye Name: (5E)-5-[(3-methoxyphenyl)methylene]-2-(4-methylpiperazin-4-ium-1-yl)thiazol-4-one CAS Name: (5E)-5-[(3-methoxyphenyl)methylidene]-2-(4-methyl-1-piperazin-4-iumyl)-4-thiazolone IUPAC Name: (5E)-5-[(3-methoxyphenyl)methylidene]-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-one Traditional Name: (5E)-5-m-anisylidene-2-(4-methylpiperazin-4-ium-1-yl)-2-thiazolin-4-one Formula: C16H20N3O2S+ MolecularWeight: 318.4139

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O2S/c1-18-6-8-19(9-7-18)16-17-15(20)14(22-16)11-12-4-3-5-13(10-12)21-2/h3-5,10-11H,6-9H2,1-2H3/p+1/b14-11+