(2S)-1-[4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-3-(2-fluoranylphenoxy)propan-2-ol

Systemtic Name: (2S)-1-[4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-3-(2-fluoranylphenoxy)propan-2-ol Openeye Name: (2S)-1-[4-(benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-3-(2-fluorophenoxy)propan-2-ol CAS Name: (2S)-1-[4-(1-benzothiophen-3-ylmethyl)-1-piperazin-4-iumyl]-3-(2-fluorophenoxy)-2-propanol IUPAC Name: (2S)-1-[4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-3-(2-fluorophenoxy)propan-2-ol Traditional Name: (2S)-1-[4-(benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-3-(2-fluorophenoxy)propan-2-ol Formula: C22H26FN2O2S+ MolecularWeight: 401.517443

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC3=CC=CC=C32)CC(COC4=CC=CC=C4F)O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC3=CC=CC=C32)C[C@@H](COC4=CC=CC=C4F)O

InChI

InChI=1S/C22H25FN2O2S/c23-20-6-2-3-7-21(20)27-15-18(26)14-25-11-9-24(10-12-25)13-17-16-28-22-8-4-1-5-19(17)22/h1-8,16,18,26H,9-15H2/p+1/t18-/m0/s1