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

Systemtic Name: 1-(2-chloranylprop-2-enyl)-3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-7-methylsulfanyl-quinolin-2-one Openeye Name: 1-(2-chloroallyl)-3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-7-methylsulfanyl-quinolin-2-one CAS Name: 1-(2-chloroprop-2-enyl)-3-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]-7-(methylthio)-2-quinolinone IUPAC Name: 1-(2-chloroprop-2-enyl)-3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-7-methylsulfanylquinolin-2-one Traditional Name: 1-(2-chloroallyl)-3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-7-(methylthio)carbostyril Formula: C24H26ClFN3OS+ MolecularWeight: 458.999143

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)C=C(C(=O)N2CC(=C)Cl)C[NH+]3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CSC1=CC2=C(C=C1)C=C(C(=O)N2CC(=C)Cl)C[NH+]3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H25ClFN3OS/c1-17(25)15-29-23-14-22(31-2)8-3-18(23)13-19(24(29)30)16-27-9-11-28(12-10-27)21-6-4-20(26)5-7-21/h3-8,13-14H,1,9-12,15-16H2,2H3/p+1