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

Systemtic Name: 3-[(4-fluoranyl-1,3-benzothiazol-2-yl)-(3-phenoxyphenyl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[(4-fluoro-1,3-benzothiazol-2-yl)-(3-phenoxybenzoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(4-fluoro-1,3-benzothiazol-2-yl)-[oxo-(3-phenoxyphenyl)methyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(4-fluoro-1,3-benzothiazol-2-yl)-(3-phenoxybenzoyl)amino]propyl-dimethylazanium Traditional Name: 3-[(4-fluoro-1,3-benzothiazol-2-yl)-(3-phenoxybenzoyl)amino]propyl-dimethyl-ammonium Formula: C25H25FN3O2S+ MolecularWeight: 450.548303

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(C1=NC2=C(C=CC=C2S1)F)C(=O)C3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

C[NH+](C)CCCN(C1=NC2=C(C=CC=C2S1)F)C(=O)C3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H24FN3O2S/c1-28(2)15-8-16-29(25-27-23-21(26)13-7-14-22(23)32-25)24(30)18-9-6-12-20(17-18)31-19-10-4-3-5-11-19/h3-7,9-14,17H,8,15-16H2,1-2H3/p+1