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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC=C1)SC(=N2)N(CCC[NH+](C)C)C(=O)CC3=CC=C(C=C3)F

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=N2)N(CCC[NH+](C)C)C(=O)CC3=CC=C(C=C3)F

InChI

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