(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-methylsulfanyl-imidazol-4-one

Systemtic Name: (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-methylsulfanyl-imidazol-4-one Openeye Name: (5E)-5-(1,3-benzodioxol-5-ylmethylene)-3-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-methylsulfanyl-imidazol-4-one CAS Name: (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3-[(4-methyl-1-piperazin-4-iumyl)methyl]-2-(methylthio)-4-imidazolone IUPAC Name: (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-methylsulfanylimidazol-4-one Traditional Name: (5E)-3-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-(methylthio)-5-piperonylidene-2-imidazolin-4-one Formula: C18H23N4O3S+ MolecularWeight: 375.46522

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CN2C(=O)C(=CC3=CC4=C(C=C3)OCO4)N=C2SC

Isomeric SMILES

C[NH+]1CCN(CC1)CN2C(=O)/C(=C\C3=CC4=C(C=C3)OCO4)/N=C2SC

InChI

InChI=1S/C18H22N4O3S/c1-20-5-7-21(8-6-20)11-22-17(23)14(19-18(22)26-2)9-13-3-4-15-16(10-13)25-12-24-15/h3-4,9-10H,5-8,11-12H2,1-2H3/p+1/b14-9+