(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-one

Systemtic Name: (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-one Openeye Name: (5E)-5-(1,3-benzodioxol-5-ylmethylene)-2-(4-methylpiperazin-4-ium-1-yl)thiazol-4-one CAS Name: (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(4-methyl-1-piperazin-4-iumyl)-4-thiazolone IUPAC Name: (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-one Traditional Name: (5E)-2-(4-methylpiperazin-4-ium-1-yl)-5-piperonylidene-2-thiazolin-4-one Formula: C16H18N3O3S+ MolecularWeight: 332.39742

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC(=O)C(=CC3=CC4=C(C=C3)OCO4)S2

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC(=O)/C(=C\C3=CC4=C(C=C3)OCO4)/S2

InChI

InChI=1S/C16H17N3O3S/c1-18-4-6-19(7-5-18)16-17-15(20)14(23-16)9-11-2-3-12-13(8-11)22-10-21-12/h2-3,8-9H,4-7,10H2,1H3/p+1/b14-9+