3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-5-(phenylmethylidene)-1,3-thiazolidine-2,4-dione

Systemtic Name: 3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-5-(phenylmethylidene)-1,3-thiazolidine-2,4-dione Openeye Name: 5-benzylidene-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]thiazolidine-2,4-dione CAS Name: 3-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]-5-(phenylmethylene)thiazolidine-2,4-dione IUPAC Name: 5-benzylidene-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione Traditional Name: 5-benzal-3-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]thiazolidine-2,4-quinone Formula: C17H20N3O3S+ MolecularWeight: 346.424

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CN2C(=O)C(=CC3=CC=CC=C3)SC2=O

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CN2C(=O)C(=CC3=CC=CC=C3)SC2=O

InChI

InChI=1S/C17H19N3O3S/c1-18-7-9-19(10-8-18)15(21)12-20-16(22)14(24-17(20)23)11-13-5-3-2-4-6-13/h2-6,11H,7-10,12H2,1H3/p+1