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

Systemtic Name: 3-[(6-ethoxy-1,3-benzothiazol-2-yl)-[2-(4-fluorophenyl)ethanoyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[(6-ethoxy-1,3-benzothiazol-2-yl)-[2-(4-fluorophenyl)acetyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[(6-ethoxy-1,3-benzothiazol-2-yl)-[2-(4-fluorophenyl)-1-oxoethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(6-ethoxy-1,3-benzothiazol-2-yl)-[2-(4-fluorophenyl)acetyl]amino]propyl-dimethylazanium Traditional Name: 3-[(6-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=CC2=C(C=C1)N=C(S2)N(CCC[NH+](C)C)C(=O)CC3=CC=C(C=C3)F

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N(CCC[NH+](C)C)C(=O)CC3=CC=C(C=C3)F

InChI

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