[(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-methylsulfanyl-propyl]ammonium CAS Name: [(2S)-1-[4-(2-fluorophenyl)-1-piperazinyl]-4-(methylthio)-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-(methylthio)propyl]ammonium Formula: C15H23FN3OS+ MolecularWeight: 312.426023

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CCN(CC1)C2=CC=CC=C2F)[NH3+]

Isomeric SMILES

CSCC[C@@H](C(=O)N1CCN(CC1)C2=CC=CC=C2F)[NH3+]

InChI

InChI=1S/C15H22FN3OS/c1-21-11-6-13(17)15(20)19-9-7-18(8-10-19)14-5-3-2-4-12(14)16/h2-5,13H,6-11,17H2,1H3/p+1/t13-/m0/s1