2-[4-(4-fluorophenyl)piperazin-1-yl]-4-methyl-8-methylsulfanyl-quinolin-1-ium

Systemtic Name: 2-[4-(4-fluorophenyl)piperazin-1-yl]-4-methyl-8-methylsulfanyl-quinolin-1-ium Openeye Name: 2-[4-(4-fluorophenyl)piperazin-1-yl]-4-methyl-8-methylsulfanyl-quinolin-1-ium CAS Name: 2-[4-(4-fluorophenyl)-1-piperazinyl]-4-methyl-8-(methylthio)quinolin-1-ium IUPAC Name: 2-[4-(4-fluorophenyl)piperazin-1-yl]-4-methyl-8-methylsulfanylquinolin-1-ium Traditional Name: 2-[4-(4-fluorophenyl)piperazino]-4-methyl-8-(methylthio)quinolin-1-ium Formula: C21H23FN3S+ MolecularWeight: 368.490823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C2=C1C=CC=C2SC)N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC(=[NH+]C2=C1C=CC=C2SC)N3CCN(CC3)C4=CC=C(C=C4)F

InChI

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