(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(4-ethylpiperazin-4-ium-1-yl)-1,3-thiazol-4-one

Systemtic Name: (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(4-ethylpiperazin-4-ium-1-yl)-1,3-thiazol-4-one Openeye Name: (5Z)-5-(1,3-benzodioxol-5-ylmethylene)-2-(4-ethylpiperazin-4-ium-1-yl)thiazol-4-one CAS Name: (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(4-ethyl-1-piperazin-4-iumyl)-4-thiazolone IUPAC Name: (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(4-ethylpiperazin-4-ium-1-yl)-1,3-thiazol-4-one Traditional Name: (5Z)-2-(4-ethylpiperazin-4-ium-1-yl)-5-piperonylidene-2-thiazolin-4-one Formula: C17H20N3O3S+ MolecularWeight: 346.424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O3S/c1-2-19-5-7-20(8-6-19)17-18-16(21)15(24-17)10-12-3-4-13-14(9-12)23-11-22-13/h3-4,9-10H,2,5-8,11H2,1H3/p+1/b15-10-