3-[2-(4-ethoxyphenyl)ethanoyl-(4-fluoranyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[2-(4-ethoxyphenyl)ethanoyl-(4-fluoranyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[[2-(4-ethoxyphenyl)acetyl]-(4-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[2-(4-ethoxyphenyl)-1-oxoethyl]-(4-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[[2-(4-ethoxyphenyl)acetyl]-(4-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(4-fluoro-1,3-benzothiazol-2-yl)-(2-p-phenetylacetyl)amino]propyl-dimethyl-ammonium Formula: C22H27FN3O2S+ MolecularWeight: 416.532083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC(=O)N(CCC[NH+](C)C)C2=NC3=C(C=CC=C3S2)F

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(=O)N(CCC[NH+](C)C)C2=NC3=C(C=CC=C3S2)F

InChI

InChI=1S/C22H26FN3O2S/c1-4-28-17-11-9-16(10-12-17)15-20(27)26(14-6-13-25(2)3)22-24-21-18(23)7-5-8-19(21)29-22/h5,7-12H,4,6,13-15H2,1-3H3/p+1