(5Z)-2-(4-methylpiperazin-4-ium-1-yl)-5-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-1,3-thiazol-4-one

Systemtic Name: (5Z)-2-(4-methylpiperazin-4-ium-1-yl)-5-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-1,3-thiazol-4-one Openeye Name: (5Z)-2-(4-methylpiperazin-4-ium-1-yl)-5-[(5-phenyl-1H-pyrazol-4-yl)methylene]thiazol-4-one CAS Name: (5Z)-2-(4-methyl-1-piperazin-4-iumyl)-5-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-4-thiazolone IUPAC Name: (5Z)-2-(4-methylpiperazin-4-ium-1-yl)-5-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-1,3-thiazol-4-one Traditional Name: (5Z)-2-(4-methylpiperazin-4-ium-1-yl)-5-[(5-phenyl-1H-pyrazol-4-yl)methylene]-2-thiazolin-4-one Formula: C18H20N5OS+ MolecularWeight: 354.4493

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5OS/c1-22-7-9-23(10-8-22)18-20-17(24)15(25-18)11-14-12-19-21-16(14)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,19,21)/p+1/b15-11-