3-[(6-fluoranyl-1,3-benzothiazol-2-yl)-(4-propan-2-yloxyphenyl)carbonyl-amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(6-fluoranyl-1,3-benzothiazol-2-yl)-(4-propan-2-yloxyphenyl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[(6-fluoro-1,3-benzothiazol-2-yl)-(4-isopropoxybenzoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(6-fluoro-1,3-benzothiazol-2-yl)-[oxo-(4-propan-2-yloxyphenyl)methyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(6-fluoro-1,3-benzothiazol-2-yl)-(4-propan-2-yloxybenzoyl)amino]propyl-dimethylazanium Traditional Name: 3-[(6-fluoro-1,3-benzothiazol-2-yl)-(4-isopropoxybenzoyl)amino]propyl-dimethyl-ammonium Formula: C22H27FN3O2S+ MolecularWeight: 416.532083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)N(CCC[NH+](C)C)C2=NC3=C(S2)C=C(C=C3)F

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)N(CCC[NH+](C)C)C2=NC3=C(S2)C=C(C=C3)F

InChI

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