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

Systemtic Name: 5-[(4-chlorophenyl)methylidene]-2-(4-ethylpiperazin-4-ium-1-yl)-1,3-thiazol-4-one Openeye Name: 5-[(4-chlorophenyl)methylene]-2-(4-ethylpiperazin-4-ium-1-yl)thiazol-4-one CAS Name: 5-[(4-chlorophenyl)methylidene]-2-(4-ethyl-1-piperazin-4-iumyl)-4-thiazolone IUPAC Name: 5-[(4-chlorophenyl)methylidene]-2-(4-ethylpiperazin-4-ium-1-yl)-1,3-thiazol-4-one Traditional Name: 5-(4-chlorobenzylidene)-2-(4-ethylpiperazin-4-ium-1-yl)-2-thiazolin-4-one Formula: C16H19ClN3OS+ MolecularWeight: 336.85956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClN3OS/c1-2-19-7-9-20(10-8-19)16-18-15(21)14(22-16)11-12-3-5-13(17)6-4-12/h3-6,11H,2,7-10H2,1H3/p+1