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

Systemtic Name: 3-[2,2-diphenylethanoyl-(4-fluoranyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(2,2-diphenylacetyl)-(4-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(4-fluoro-1,3-benzothiazol-2-yl)-(1-oxo-2,2-diphenylethyl)amino]propyl-dimethylammonium IUPAC Name: 3-[(2,2-diphenylacetyl)-(4-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(2,2-diphenylacetyl)-(4-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C26H27FN3OS+ MolecularWeight: 448.575483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26FN3OS/c1-29(2)17-10-18-30(26-28-24-21(27)15-9-16-22(24)32-26)25(31)23(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-9,11-16,23H,10,17-18H2,1-2H3/p+1