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

Systemtic Name: (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-methylsulfanyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]imidazol-4-one Openeye Name: (5E)-5-(1,3-benzodioxol-5-ylmethylene)-2-methylsulfanyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]imidazol-4-one CAS Name: (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(methylthio)-3-[(4-phenyl-1-piperazin-1-iumyl)methyl]-4-imidazolone IUPAC Name: (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-methylsulfanyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]imidazol-4-one Traditional Name: (5E)-2-(methylthio)-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-5-piperonylidene-2-imidazolin-4-one Formula: C23H25N4O3S+ MolecularWeight: 437.5346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC2=CC3=C(C=C2)OCO3)C(=O)N1C[NH+]4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CSC1=N/C(=C/C2=CC3=C(C=C2)OCO3)/C(=O)N1C[NH+]4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C23H24N4O3S/c1-31-23-24-19(13-17-7-8-20-21(14-17)30-16-29-20)22(28)27(23)15-25-9-11-26(12-10-25)18-5-3-2-4-6-18/h2-8,13-14H,9-12,15-16H2,1H3/p+1/b19-13+