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

Systemtic Name: (2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-propan-2-yloxy-propan-2-ol Openeye Name: (2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-isopropoxy-propan-2-ol CAS Name: (2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-3-propan-2-yloxy-2-propanol IUPAC Name: (2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-propan-2-yloxypropan-2-ol Traditional Name: (2R)-1-isopropoxy-3-(4-piperonylpiperazin-4-ium-1-yl)propan-2-ol Formula: C18H29N2O4+ MolecularWeight: 337.43386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC(CN1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3)O

Isomeric SMILES

CC(C)OC[C@@H](CN1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3)O

InChI

InChI=1S/C18H28N2O4/c1-14(2)22-12-16(21)11-20-7-5-19(6-8-20)10-15-3-4-17-18(9-15)24-13-23-17/h3-4,9,14,16,21H,5-8,10-13H2,1-2H3/p+1/t16-/m1/s1