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

Systemtic Name: (5E)-2-(4-methylpiperazin-4-ium-1-yl)-5-[(2-phenylmethoxyphenyl)methylidene]-1,3-thiazol-4-one Openeye Name: (5E)-5-[(2-benzyloxyphenyl)methylene]-2-(4-methylpiperazin-4-ium-1-yl)thiazol-4-one CAS Name: (5E)-2-(4-methyl-1-piperazin-4-iumyl)-5-[(2-phenylmethoxyphenyl)methylidene]-4-thiazolone IUPAC Name: (5E)-2-(4-methylpiperazin-4-ium-1-yl)-5-[(2-phenylmethoxyphenyl)methylidene]-1,3-thiazol-4-one Traditional Name: (5E)-5-(2-benzoxybenzylidene)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiazolin-4-one Formula: C22H24N3O2S+ MolecularWeight: 394.50986

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC(=O)C(=CC3=CC=CC=C3OCC4=CC=CC=C4)S2

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC(=O)/C(=C\C3=CC=CC=C3OCC4=CC=CC=C4)/S2

InChI

InChI=1S/C22H23N3O2S/c1-24-11-13-25(14-12-24)22-23-21(26)20(28-22)15-18-9-5-6-10-19(18)27-16-17-7-3-2-4-8-17/h2-10,15H,11-14,16H2,1H3/p+1/b20-15+