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

Systemtic Name: (5E)-2-(4-methylpiperazin-4-ium-1-yl)-5-[(4-phenylphenyl)methylidene]-1,3-thiazol-4-one Openeye Name: (5E)-2-(4-methylpiperazin-4-ium-1-yl)-5-[(4-phenylphenyl)methylene]thiazol-4-one CAS Name: (5E)-2-(4-methyl-1-piperazin-4-iumyl)-5-[(4-phenylphenyl)methylidene]-4-thiazolone IUPAC Name: (5E)-2-(4-methylpiperazin-4-ium-1-yl)-5-[(4-phenylphenyl)methylidene]-1,3-thiazol-4-one Traditional Name: (5E)-2-(4-methylpiperazin-4-ium-1-yl)-5-(4-phenylbenzylidene)-2-thiazolin-4-one Formula: C21H22N3OS+ MolecularWeight: 364.48388

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC(=O)C(=CC3=CC=C(C=C3)C4=CC=CC=C4)S2

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3OS/c1-23-11-13-24(14-12-23)21-22-20(25)19(26-21)15-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3/p+1/b19-15+