(5E)-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-5-(pyridin-3-ylmethylidene)-1,3-thiazolidine-2,4-dione

Systemtic Name: (5E)-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-5-(pyridin-3-ylmethylidene)-1,3-thiazolidine-2,4-dione Openeye Name: (5E)-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-5-(3-pyridylmethylene)thiazolidine-2,4-dione CAS Name: (5E)-3-[(4-phenyl-1-piperazin-1-iumyl)methyl]-5-(3-pyridinylmethylidene)thiazolidine-2,4-dione IUPAC Name: (5E)-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-5-(pyridin-3-ylmethylidene)-1,3-thiazolidine-2,4-dione Traditional Name: (5E)-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-5-(3-pyridylmethylene)thiazolidine-2,4-quinone Formula: C20H21N4O2S+ MolecularWeight: 381.47134

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)C(=CC3=CN=CC=C3)SC2=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)/C(=C\C3=CN=CC=C3)/SC2=O)C4=CC=CC=C4

InChI

InChI=1S/C20H20N4O2S/c25-19-18(13-16-5-4-8-21-14-16)27-20(26)24(19)15-22-9-11-23(12-10-22)17-6-2-1-3-7-17/h1-8,13-14H,9-12,15H2/p+1/b18-13+