1,3-benzothiazol-2-ylmethyl-[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[2-(4-bromo-2-fluoro-anilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-(4-bromo-2-fluoro-anilino)-2-keto-ethyl]-methyl-ammonium Formula: C17H16BrFN3OS+ MolecularWeight: 409.295843

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C17H15BrFN3OS/c1-22(10-17-21-14-4-2-3-5-15(14)24-17)9-16(23)20-13-7-6-11(18)8-12(13)19/h2-8H,9-10H2,1H3,(H,20,23)/p+1