3-[2-(4-ethoxyphenyl)ethanoyl-(6-fluoranyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[2-(4-ethoxyphenyl)ethanoyl-(6-fluoranyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[[2-(4-ethoxyphenyl)acetyl]-(6-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[2-(4-ethoxyphenyl)-1-oxoethyl]-(6-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[[2-(4-ethoxyphenyl)acetyl]-(6-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(6-fluoro-1,3-benzothiazol-2-yl)-(2-p-phenetylacetyl)amino]propyl-dimethyl-ammonium Formula: C22H27FN3O2S+ MolecularWeight: 416.532083

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC(=O)N(CCC[NH+](C)C)C2=NC3=C(S2)C=C(C=C3)F

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(=O)N(CCC[NH+](C)C)C2=NC3=C(S2)C=C(C=C3)F

InChI

InChI=1S/C22H26FN3O2S/c1-4-28-18-9-6-16(7-10-18)14-21(27)26(13-5-12-25(2)3)22-24-19-11-8-17(23)15-20(19)29-22/h6-11,15H,4-5,12-14H2,1-3H3/p+1