1-[(3S)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-3-methylsulfanyl-propan-1-one

Systemtic Name: 1-[(3S)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-3-methylsulfanyl-propan-1-one Openeye Name: 1-[(3S)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-1-piperidyl]-3-methylsulfanyl-propan-1-one CAS Name: 1-[(3S)-3-[4-(2-fluorophenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-3-(methylthio)-1-propanone IUPAC Name: 1-[(3S)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-3-methylsulfanylpropan-1-one Traditional Name: 1-[(3S)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]piperidino]-3-(methylthio)propan-1-one Formula: C19H29FN3OS+ MolecularWeight: 366.516463

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(=O)N1CCCC(C1)[NH+]2CCN(CC2)C3=CC=CC=C3F

Isomeric SMILES

CSCCC(=O)N1CCC[C@@H](C1)[NH+]2CCN(CC2)C3=CC=CC=C3F

InChI

InChI=1S/C19H28FN3OS/c1-25-14-8-19(24)23-9-4-5-16(15-23)21-10-12-22(13-11-21)18-7-3-2-6-17(18)20/h2-3,6-7,16H,4-5,8-15H2,1H3/p+1/t16-/m0/s1