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

Systemtic Name: 2-[2-(4-fluorophenyl)sulfanylethanoyl-(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[[2-(4-fluorophenyl)sulfanylacetyl]-(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[2-[(4-fluorophenyl)thio]-1-oxoethyl]-(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[[2-(4-fluorophenyl)sulfanylacetyl]-(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[[2-[(4-fluorophenyl)thio]acetyl]-(6-methoxy-1,3-benzothiazol-2-yl)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)OC)C(=O)CSC3=CC=C(C=C3)F

Isomeric SMILES

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

InChI

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