2-[[7-fluoranyl-2-(2-methylphenyl)quinolin-3-yl]methyl-(4-methylphenyl)carbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[7-fluoranyl-2-(2-methylphenyl)quinolin-3-yl]methyl-(4-methylphenyl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[[7-fluoro-2-(o-tolyl)-3-quinolyl]methyl-(4-methylbenzoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[7-fluoro-2-(2-methylphenyl)-3-quinolinyl]methyl-[(4-methylphenyl)-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[7-fluoro-2-(2-methylphenyl)quinolin-3-yl]methyl-(4-methylbenzoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[[7-fluoro-2-(o-tolyl)-3-quinolyl]methyl-p-toluoyl-amino]ethyl-dimethyl-ammonium Formula: C29H31FN3O+ MolecularWeight: 456.574343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N(CC[NH+](C)C)CC2=C(N=C3C=C(C=CC3=C2)F)C4=CC=CC=C4C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N(CC[NH+](C)C)CC2=C(N=C3C=C(C=CC3=C2)F)C4=CC=CC=C4C

InChI

InChI=1S/C29H30FN3O/c1-20-9-11-22(12-10-20)29(34)33(16-15-32(3)4)19-24-17-23-13-14-25(30)18-27(23)31-28(24)26-8-6-5-7-21(26)2/h5-14,17-18H,15-16,19H2,1-4H3/p+1