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

Systemtic Name: 3-[(4-fluoranyl-1,3-benzothiazol-2-yl)-(2-phenoxyphenyl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[(4-fluoro-1,3-benzothiazol-2-yl)-(2-phenoxybenzoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(4-fluoro-1,3-benzothiazol-2-yl)-[oxo-(2-phenoxyphenyl)methyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(4-fluoro-1,3-benzothiazol-2-yl)-(2-phenoxybenzoyl)amino]propyl-dimethylazanium Traditional Name: 3-[(4-fluoro-1,3-benzothiazol-2-yl)-(2-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=C3OC4=CC=CC=C4

Isomeric SMILES

C[NH+](C)CCCN(C1=NC2=C(C=CC=C2S1)F)C(=O)C3=CC=CC=C3OC4=CC=CC=C4

InChI

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