3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-7-methylsulfanyl-1-(2-pyrrolidin-1-ium-1-ylethyl)quinolin-2-one

Systemtic Name: 3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-7-methylsulfanyl-1-(2-pyrrolidin-1-ium-1-ylethyl)quinolin-2-one Openeye Name: 3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-7-methylsulfanyl-1-(2-pyrrolidin-1-ium-1-ylethyl)quinolin-2-one CAS Name: 3-[[4-(2-fluorophenyl)-1-piperazinyl]methyl]-7-(methylthio)-1-[2-(1-pyrrolidin-1-iumyl)ethyl]-2-quinolinone IUPAC Name: 3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-7-methylsulfanyl-1-(2-pyrrolidin-1-ium-1-ylethyl)quinolin-2-one Traditional Name: 3-[[4-(2-fluorophenyl)piperazino]methyl]-7-(methylthio)-1-(2-pyrrolidin-1-ium-1-ylethyl)carbostyril Formula: C27H34FN4OS+ MolecularWeight: 481.648463

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)C=C(C(=O)N2CC[NH+]3CCCC3)CN4CCN(CC4)C5=CC=CC=C5F

Isomeric SMILES

CSC1=CC2=C(C=C1)C=C(C(=O)N2CC[NH+]3CCCC3)CN4CCN(CC4)C5=CC=CC=C5F

InChI

InChI=1S/C27H33FN4OS/c1-34-23-9-8-21-18-22(27(33)32(26(21)19-23)17-14-29-10-4-5-11-29)20-30-12-15-31(16-13-30)25-7-3-2-6-24(25)28/h2-3,6-9,18-19H,4-5,10-17,20H2,1H3/p+1