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

Systemtic Name: (2R)-1-(1,3-benzodioxol-5-ylmethoxy)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propan-2-ol Openeye Name: (2R)-1-(1,3-benzodioxol-5-ylmethoxy)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propan-2-ol CAS Name: (2R)-1-(1,3-benzodioxol-5-ylmethoxy)-3-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-2-propanol IUPAC Name: (2R)-1-(1,3-benzodioxol-5-ylmethoxy)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propan-2-ol Traditional Name: (2R)-1-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-3-piperonyloxy-propan-2-ol Formula: C22H29N2O5+ MolecularWeight: 401.47606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)CC(COCC3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)C[C@H](COCC3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C22H28N2O5/c1-26-20-5-3-2-4-19(20)24-10-8-23(9-11-24)13-18(25)15-27-14-17-6-7-21-22(12-17)29-16-28-21/h2-7,12,18,25H,8-11,13-16H2,1H3/p+1/t18-/m1/s1