(2S)-1-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-3-(4-methylphenyl)sulfanyl-propan-2-ol

Systemtic Name: (2S)-1-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-3-(4-methylphenyl)sulfanyl-propan-2-ol Openeye Name: (2S)-1-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-3-(p-tolylsulfanyl)propan-2-ol CAS Name: (2S)-1-[4-(2-fluorophenyl)-1-piperazin-1-iumyl]-3-[(4-methylphenyl)thio]-2-propanol IUPAC Name: (2S)-1-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-3-(4-methylphenyl)sulfanylpropan-2-ol Traditional Name: (2S)-1-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-3-(p-tolylthio)propan-2-ol Formula: C20H26FN2OS+ MolecularWeight: 361.496643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(C[NH+]2CCN(CC2)C3=CC=CC=C3F)O

Isomeric SMILES

CC1=CC=C(C=C1)SC[C@H](C[NH+]2CCN(CC2)C3=CC=CC=C3F)O

InChI

InChI=1S/C20H25FN2OS/c1-16-6-8-18(9-7-16)25-15-17(24)14-22-10-12-23(13-11-22)20-5-3-2-4-19(20)21/h2-9,17,24H,10-15H2,1H3/p+1/t17-/m0/s1