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

Systemtic Name: (2S)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-3-(4-fluorophenyl)sulfanyl-propan-2-ol Openeye Name: (2S)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(4-fluorophenyl)sulfanyl-propan-2-ol CAS Name: (2S)-1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-3-[(4-fluorophenyl)thio]-2-propanol IUPAC Name: (2S)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(4-fluorophenyl)sulfanylpropan-2-ol Traditional Name: (2S)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-[(4-fluorophenyl)thio]propan-2-ol Formula: C26H30FN2OS+ MolecularWeight: 437.592603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)CC(CSC4=CC=C(C=C4)F)O

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C[C@@H](CSC4=CC=C(C=C4)F)O

InChI

InChI=1S/C26H29FN2OS/c27-23-11-13-25(14-12-23)31-20-24(30)19-28-15-17-29(18-16-28)26(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,24,26,30H,15-20H2/p+1/t24-/m0/s1