2-[[7-fluoranyl-2-(2-methylphenyl)quinolin-3-yl]methyl-thiophen-2-ylcarbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[7-fluoranyl-2-(2-methylphenyl)quinolin-3-yl]methyl-thiophen-2-ylcarbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[[7-fluoro-2-(o-tolyl)-3-quinolyl]methyl-(thiophene-2-carbonyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[7-fluoro-2-(2-methylphenyl)-3-quinolinyl]methyl-[oxo(thiophen-2-yl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[7-fluoro-2-(2-methylphenyl)quinolin-3-yl]methyl-(thiophene-2-carbonyl)amino]ethyl-dimethylazanium Traditional Name: 2-[[7-fluoro-2-(o-tolyl)-3-quinolyl]methyl-(2-thenoyl)amino]ethyl-dimethyl-ammonium Formula: C26H27FN3OS+ MolecularWeight: 448.575483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=C3C=CC(=CC3=N2)F)CN(CC[NH+](C)C)C(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=C3C=CC(=CC3=N2)F)CN(CC[NH+](C)C)C(=O)C4=CC=CS4

InChI

InChI=1S/C26H26FN3OS/c1-18-7-4-5-8-22(18)25-20(15-19-10-11-21(27)16-23(19)28-25)17-30(13-12-29(2)3)26(31)24-9-6-14-32-24/h4-11,14-16H,12-13,17H2,1-3H3/p+1