2-[4-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperazin-1-ium-1-yl]ethyl furan-2-carboxylate

Systemtic Name: 2-[4-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperazin-1-ium-1-yl]ethyl furan-2-carboxylate Openeye Name: 2-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]ethyl furan-2-carboxylate CAS Name: 2-furancarboxylic acid 2-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)-1-piperazin-1-iumyl]ethyl ester IUPAC Name: 2-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]ethyl furan-2-carboxylate Traditional Name: furan-2-carboxylic acid 2-[4-(1,1-diketo-1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]ethyl ester Formula: C18H20N3O5S+ MolecularWeight: 390.4335

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC(=O)C2=CC=CO2)C3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

C1CN(CC[NH+]1CCOC(=O)C2=CC=CO2)C3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C18H19N3O5S/c22-18(15-5-3-12-25-15)26-13-11-20-7-9-21(10-8-20)17-14-4-1-2-6-16(14)27(23,24)19-17/h1-6,12H,7-11,13H2/p+1