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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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