2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-6-methylsulfanyl-quinolin-1-ium

Systemtic Name: 2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-6-methylsulfanyl-quinolin-1-ium Openeye Name: 2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-6-methylsulfanyl-quinolin-1-ium CAS Name: 2-[4-(2-fluorophenyl)-1-piperazinyl]-4-methyl-6-(methylthio)quinolin-1-ium IUPAC Name: 2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-6-methylsulfanylquinolin-1-ium Traditional Name: 2-[4-(2-fluorophenyl)piperazino]-4-methyl-6-(methylthio)quinolin-1-ium Formula: C21H23FN3S+ MolecularWeight: 368.490823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C2=C1C=C(C=C2)SC)N3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

CC1=CC(=[NH+]C2=C1C=C(C=C2)SC)N3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C21H22FN3S/c1-15-13-21(23-19-8-7-16(26-2)14-17(15)19)25-11-9-24(10-12-25)20-6-4-3-5-18(20)22/h3-8,13-14H,9-12H2,1-2H3/p+1