2-[[7-fluoranyl-2-(2-methylphenyl)quinolin-3-yl]methyl-(5-methylthiophen-2-yl)carbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[7-fluoranyl-2-(2-methylphenyl)quinolin-3-yl]methyl-(5-methylthiophen-2-yl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[[7-fluoro-2-(o-tolyl)-3-quinolyl]methyl-(5-methylthiophene-2-carbonyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[7-fluoro-2-(2-methylphenyl)-3-quinolinyl]methyl-[(5-methyl-2-thiophenyl)-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[7-fluoro-2-(2-methylphenyl)quinolin-3-yl]methyl-(5-methylthiophene-2-carbonyl)amino]ethyl-dimethylazanium Traditional Name: 2-[[7-fluoro-2-(o-tolyl)-3-quinolyl]methyl-(5-methylthiophene-2-carbonyl)amino]ethyl-dimethyl-ammonium Formula: C27H29FN3OS+ MolecularWeight: 462.602063

Click to see the large picture

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=C(S4)C

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=C3C=CC(=CC3=N2)F)CN(CC[NH+](C)C)C(=O)C4=CC=C(S4)C

InChI

InChI=1S/C27H28FN3OS/c1-18-7-5-6-8-23(18)26-21(15-20-10-11-22(28)16-24(20)29-26)17-31(14-13-30(3)4)27(32)25-12-9-19(2)33-25/h5-12,15-16H,13-14,17H2,1-4H3/p+1