3-[[2-(4-fluorophenyl)sulfanylquinolin-4-yl]carbonylamino]propyl-(phenylmethyl)-propan-2-yl-azanium

Systemtic Name: 3-[[2-(4-fluorophenyl)sulfanylquinolin-4-yl]carbonylamino]propyl-(phenylmethyl)-propan-2-yl-azanium Openeye Name: benzyl-[3-[[2-(4-fluorophenyl)sulfanylquinoline-4-carbonyl]amino]propyl]-isopropyl-ammonium CAS Name: 3-[[[2-[(4-fluorophenyl)thio]-4-quinolinyl]-oxomethyl]amino]propyl-(phenylmethyl)-propan-2-ylammonium IUPAC Name: benzyl-[3-[[2-(4-fluorophenyl)sulfanylquinoline-4-carbonyl]amino]propyl]-propan-2-ylazanium Traditional Name: benzyl-[3-[[2-[(4-fluorophenyl)thio]quinoline-4-carbonyl]amino]propyl]-isopropyl-ammonium Formula: C29H31FN3OS+ MolecularWeight: 488.639343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H30FN3OS/c1-21(2)33(20-22-9-4-3-5-10-22)18-8-17-31-29(34)26-19-28(32-27-12-7-6-11-25(26)27)35-24-15-13-23(30)14-16-24/h3-7,9-16,19,21H,8,17-18,20H2,1-2H3,(H,31,34)/p+1