1-[(2-fluorophenyl)methyl]-7-methylsulfanyl-3-[[(3S)-3-oxidanylpiperidin-1-ium-1-yl]methyl]quinolin-2-one

Systemtic Name: 1-[(2-fluorophenyl)methyl]-7-methylsulfanyl-3-[[(3S)-3-oxidanylpiperidin-1-ium-1-yl]methyl]quinolin-2-one Openeye Name: 1-[(2-fluorophenyl)methyl]-3-[[(3S)-3-hydroxypiperidin-1-ium-1-yl]methyl]-7-methylsulfanyl-quinolin-2-one CAS Name: 1-[(2-fluorophenyl)methyl]-3-[[(3S)-3-hydroxy-1-piperidin-1-iumyl]methyl]-7-(methylthio)-2-quinolinone IUPAC Name: 1-[(2-fluorophenyl)methyl]-3-[[(3S)-3-hydroxypiperidin-1-ium-1-yl]methyl]-7-methylsulfanylquinolin-2-one Traditional Name: 1-(2-fluorobenzyl)-3-[[(3S)-3-hydroxypiperidin-1-ium-1-yl]methyl]-7-(methylthio)carbostyril Formula: C23H26FN2O2S+ MolecularWeight: 413.528143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)C=C(C(=O)N2CC3=CC=CC=C3F)C[NH+]4CCCC(C4)O

Isomeric SMILES

CSC1=CC2=C(C=C1)C=C(C(=O)N2CC3=CC=CC=C3F)C[NH+]4CCC[C@@H](C4)O

InChI

InChI=1S/C23H25FN2O2S/c1-29-20-9-8-16-11-18(13-25-10-4-6-19(27)15-25)23(28)26(22(16)12-20)14-17-5-2-3-7-21(17)24/h2-3,5,7-9,11-12,19,27H,4,6,10,13-15H2,1H3/p+1/t19-/m0/s1