[3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 2,6-bis(fluoranyl)benzoate

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 2,6-bis(fluoranyl)benzoate Openeye Name: [3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] 2,6-difluorobenzoate CAS Name: 2,6-difluorobenzoic acid [3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxidoimidazolidin-3-ium-4-yl] 2,6-difluorobenzoate Traditional Name: 2,6-difluorobenzoic acid [3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C18H15F2N3O3S MolecularWeight: 391.391806

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC([N+](C1)(C2=NC3=CC=CC=C3S2)[O-])OC(=O)C4=C(C=CC=C4F)F

Isomeric SMILES

CN1CC([N+](C1)(C2=NC3=CC=CC=C3S2)[O-])OC(=O)C4=C(C=CC=C4F)F

InChI

InChI=1S/C18H15F2N3O3S/c1-22-9-15(26-17(24)16-11(19)5-4-6-12(16)20)23(25,10-22)18-21-13-7-2-3-8-14(13)27-18/h2-8,15H,9-10H2,1H3