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

Systemtic Name: (5E)-5-[(4-butoxyphenyl)methylidene]-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-one Openeye Name: (5E)-5-[(4-butoxyphenyl)methylene]-2-(4-methylpiperazin-4-ium-1-yl)thiazol-4-one CAS Name: (5E)-5-[(4-butoxyphenyl)methylidene]-2-(4-methyl-1-piperazin-4-iumyl)-4-thiazolone IUPAC Name: (5E)-5-[(4-butoxyphenyl)methylidene]-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-one Traditional Name: (5E)-5-(4-butoxybenzylidene)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiazolin-4-one Formula: C19H26N3O2S+ MolecularWeight: 360.49364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=C2C(=O)N=C(S2)N3CC[NH+](CC3)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C/2\C(=O)N=C(S2)N3CC[NH+](CC3)C

InChI

InChI=1S/C19H25N3O2S/c1-3-4-13-24-16-7-5-15(6-8-16)14-17-18(23)20-19(25-17)22-11-9-21(2)10-12-22/h5-8,14H,3-4,9-13H2,1-2H3/p+1/b17-14+