2-[(6-fluoranyl-1,3-benzothiazol-2-yl)-[2-(4-methoxyphenyl)sulfanylethanoyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(6-fluoranyl-1,3-benzothiazol-2-yl)-[2-(4-methoxyphenyl)sulfanylethanoyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(6-fluoro-1,3-benzothiazol-2-yl)-[2-(4-methoxyphenyl)sulfanylacetyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6-fluoro-1,3-benzothiazol-2-yl)-[2-[(4-methoxyphenyl)thio]-1-oxoethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(6-fluoro-1,3-benzothiazol-2-yl)-[2-(4-methoxyphenyl)sulfanylacetyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(6-fluoro-1,3-benzothiazol-2-yl)-[2-[(4-methoxyphenyl)thio]acetyl]amino]ethyl-dimethyl-ammonium Formula: C20H23FN3O2S2+ MolecularWeight: 420.543923

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(C1=NC2=C(S1)C=C(C=C2)F)C(=O)CSC3=CC=C(C=C3)OC

Isomeric SMILES

C[NH+](C)CCN(C1=NC2=C(S1)C=C(C=C2)F)C(=O)CSC3=CC=C(C=C3)OC

InChI

InChI=1S/C20H22FN3O2S2/c1-23(2)10-11-24(20-22-17-9-4-14(21)12-18(17)28-20)19(25)13-27-16-7-5-15(26-3)6-8-16/h4-9,12H,10-11,13H2,1-3H3/p+1