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

Systemtic Name: 5-[(4-dimethylaminophenyl)methylidene]-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-one Openeye Name: 5-[(4-dimethylaminophenyl)methylene]-2-(4-methylpiperazin-4-ium-1-yl)thiazol-4-one CAS Name: 5-[(4-dimethylaminophenyl)methylidene]-2-(4-methyl-1-piperazin-4-iumyl)-4-thiazolone IUPAC Name: 5-[(4-dimethylaminophenyl)methylidene]-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-one Traditional Name: 5-[4-(dimethylamino)benzylidene]-2-(4-methylpiperazin-4-ium-1-yl)-2-thiazolin-4-one Formula: C17H23N4OS+ MolecularWeight: 331.45572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4OS/c1-19(2)14-6-4-13(5-7-14)12-15-16(22)18-17(23-15)21-10-8-20(3)9-11-21/h4-7,12H,8-11H2,1-3H3/p+1