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

Systemtic Name: (2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-(2-methylbut-3-en-2-yloxy)propan-2-ol Openeye Name: (2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-(1,1-dimethylallyloxy)propan-2-ol CAS Name: (2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-3-(2-methylbut-3-en-2-yloxy)-2-propanol IUPAC Name: (2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-(2-methylbut-3-en-2-yloxy)propan-2-ol Traditional Name: (2R)-1-(1,1-dimethylallyloxy)-3-(4-piperonylpiperazin-4-ium-1-yl)propan-2-ol Formula: C20H31N2O4+ MolecularWeight: 363.47114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O4/c1-4-20(2,3)26-14-17(23)13-22-9-7-21(8-10-22)12-16-5-6-18-19(11-16)25-15-24-18/h4-6,11,17,23H,1,7-10,12-15H2,2-3H3/p+1/t17-/m1/s1