(2S)-1-(1,3-benzodioxol-5-ylmethoxy)-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-ol

Systemtic Name: (2S)-1-(1,3-benzodioxol-5-ylmethoxy)-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-ol Openeye Name: (2S)-1-(1,3-benzodioxol-5-ylmethoxy)-3-(4-benzylpiperazin-4-ium-1-yl)propan-2-ol CAS Name: (2S)-1-(1,3-benzodioxol-5-ylmethoxy)-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-propanol IUPAC Name: (2S)-1-(1,3-benzodioxol-5-ylmethoxy)-3-(4-benzylpiperazin-4-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-(4-benzylpiperazin-4-ium-1-yl)-3-piperonyloxy-propan-2-ol Formula: C22H29N2O4+ MolecularWeight: 385.47666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)CC(COCC3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C[C@@H](COCC3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C22H28N2O4/c25-20(16-26-15-19-6-7-21-22(12-19)28-17-27-21)14-24-10-8-23(9-11-24)13-18-4-2-1-3-5-18/h1-7,12,20,25H,8-11,13-17H2/p+1/t20-/m0/s1