2-[(3-fluorophenyl)carbonyl-[[2-(4-methoxyphenyl)-7-methylsulfanyl-quinolin-3-yl]methyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(3-fluorophenyl)carbonyl-[[2-(4-methoxyphenyl)-7-methylsulfanyl-quinolin-3-yl]methyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(3-fluorobenzoyl)-[[2-(4-methoxyphenyl)-7-methylsulfanyl-3-quinolyl]methyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3-fluorophenyl)-oxomethyl]-[[2-(4-methoxyphenyl)-7-(methylthio)-3-quinolinyl]methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(3-fluorobenzoyl)-[[2-(4-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(3-fluorobenzoyl)-[[2-(4-methoxyphenyl)-7-(methylthio)-3-quinolyl]methyl]amino]ethyl-dimethyl-ammonium Formula: C29H31FN3O2S+ MolecularWeight: 504.638743

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(CC1=C(N=C2C=C(C=CC2=C1)SC)C3=CC=C(C=C3)OC)C(=O)C4=CC(=CC=C4)F

Isomeric SMILES

C[NH+](C)CCN(CC1=C(N=C2C=C(C=CC2=C1)SC)C3=CC=C(C=C3)OC)C(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C29H30FN3O2S/c1-32(2)14-15-33(29(34)22-6-5-7-24(30)17-22)19-23-16-21-10-13-26(36-4)18-27(21)31-28(23)20-8-11-25(35-3)12-9-20/h5-13,16-18H,14-15,19H2,1-4H3/p+1