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

Systemtic Name: 2-[(2-fluorophenyl)carbonyl-[(7-methylsulfanyl-2-thiophen-2-yl-quinolin-3-yl)methyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(2-fluorobenzoyl)-[[7-methylsulfanyl-2-(2-thienyl)-3-quinolyl]methyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(2-fluorophenyl)-oxomethyl]-[[7-(methylthio)-2-thiophen-2-yl-3-quinolinyl]methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(2-fluorobenzoyl)-[(7-methylsulfanyl-2-thiophen-2-ylquinolin-3-yl)methyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(2-fluorobenzoyl)-[[7-(methylthio)-2-(2-thienyl)-3-quinolyl]methyl]amino]ethyl-dimethyl-ammonium Formula: C26H27FN3OS2+ MolecularWeight: 480.640483

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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=CS3)C(=O)C4=CC=CC=C4F

Isomeric SMILES

C[NH+](C)CCN(CC1=C(N=C2C=C(C=CC2=C1)SC)C3=CC=CS3)C(=O)C4=CC=CC=C4F

InChI

InChI=1S/C26H26FN3OS2/c1-29(2)12-13-30(26(31)21-7-4-5-8-22(21)27)17-19-15-18-10-11-20(32-3)16-23(18)28-25(19)24-9-6-14-33-24/h4-11,14-16H,12-13,17H2,1-3H3/p+1