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

Systemtic Name: 5-[(2,5-dimethoxyphenyl)methylidene]-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-one Openeye Name: 5-[(2,5-dimethoxyphenyl)methylene]-2-(4-methylpiperazin-4-ium-1-yl)thiazol-4-one CAS Name: 5-[(2,5-dimethoxyphenyl)methylidene]-2-(4-methyl-1-piperazin-4-iumyl)-4-thiazolone IUPAC Name: 5-[(2,5-dimethoxyphenyl)methylidene]-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-one Traditional Name: 5-(2,5-dimethoxybenzylidene)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiazolin-4-one Formula: C17H22N3O3S+ MolecularWeight: 348.43988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O3S/c1-19-6-8-20(9-7-19)17-18-16(21)15(24-17)11-12-10-13(22-2)4-5-14(12)23-3/h4-5,10-11H,6-9H2,1-3H3/p+1