2-[[2-(4-fluorophenyl)sulfanylquinolin-4-yl]carbonylamino]ethyl-methyl-(phenylmethyl)azanium

Systemtic Name: 2-[[2-(4-fluorophenyl)sulfanylquinolin-4-yl]carbonylamino]ethyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-[[2-(4-fluorophenyl)sulfanylquinoline-4-carbonyl]amino]ethyl]-methyl-ammonium CAS Name: 2-[[[2-[(4-fluorophenyl)thio]-4-quinolinyl]-oxomethyl]amino]ethyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-[[2-(4-fluorophenyl)sulfanylquinoline-4-carbonyl]amino]ethyl]-methylazanium Traditional Name: benzyl-[2-[[2-[(4-fluorophenyl)thio]quinoline-4-carbonyl]amino]ethyl]-methyl-ammonium Formula: C26H25FN3OS+ MolecularWeight: 446.559603

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCNC(=O)C1=CC(=NC2=CC=CC=C21)SC3=CC=C(C=C3)F)CC4=CC=CC=C4

Isomeric SMILES

C[NH+](CCNC(=O)C1=CC(=NC2=CC=CC=C21)SC3=CC=C(C=C3)F)CC4=CC=CC=C4

InChI

InChI=1S/C26H24FN3OS/c1-30(18-19-7-3-2-4-8-19)16-15-28-26(31)23-17-25(29-24-10-6-5-9-22(23)24)32-21-13-11-20(27)12-14-21/h2-14,17H,15-16,18H2,1H3,(H,28,31)/p+1