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

Systemtic Name: (2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-phenylmethoxy-propan-2-ol Openeye Name: (2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-benzyloxy-propan-2-ol CAS Name: (2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-3-phenylmethoxy-2-propanol IUPAC Name: (2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-phenylmethoxypropan-2-ol Traditional Name: (2S)-1-benzoxy-3-(4-piperonylpiperazin-4-ium-1-yl)propan-2-ol Formula: C22H29N2O4+ MolecularWeight: 385.47666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC(COCC4=CC=CC=C4)O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C[C@@H](COCC4=CC=CC=C4)O

InChI

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