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

Systemtic Name: (2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol Openeye Name: (2R)-1-(2-allylphenoxy)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]propan-2-ol CAS Name: (2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-3-(2-prop-2-enylphenoxy)-2-propanol IUPAC Name: (2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol Traditional Name: (2R)-1-(2-allylphenoxy)-3-(4-piperonylpiperazin-4-ium-1-yl)propan-2-ol Formula: C24H31N2O4+ MolecularWeight: 411.51394

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC=CC=C1OCC(CN2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

C=CCC1=CC=CC=C1OC[C@@H](CN2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C24H30N2O4/c1-2-5-20-6-3-4-7-22(20)28-17-21(27)16-26-12-10-25(11-13-26)15-19-8-9-23-24(14-19)30-18-29-23/h2-4,6-9,14,21,27H,1,5,10-13,15-18H2/p+1/t21-/m1/s1