1,3-benzothiazol-2-ylmethyl-[2-[(2-fluorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[2-[(2-fluorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[2-(2-fluoroanilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[2-(2-fluoroanilino)-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[2-(2-fluoroanilino)-2-oxoethyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-(2-fluoroanilino)-2-keto-ethyl]-methyl-ammonium Formula: C17H17FN3OS+ MolecularWeight: 330.399783

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NC3=CC=CC=C3F

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NC3=CC=CC=C3F

InChI

InChI=1S/C17H16FN3OS/c1-21(10-16(22)19-13-7-3-2-6-12(13)18)11-17-20-14-8-4-5-9-15(14)23-17/h2-9H,10-11H2,1H3,(H,19,22)/p+1