2-[4-[(2R)-3-(1,3-benzodioxol-5-ylmethoxy)-2-oxidanyl-propyl]piperazin-4-ium-1-yl]phenol

Systemtic Name: 2-[4-[(2R)-3-(1,3-benzodioxol-5-ylmethoxy)-2-oxidanyl-propyl]piperazin-4-ium-1-yl]phenol Openeye Name: 2-[4-[(2R)-3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxy-propyl]piperazin-4-ium-1-yl]phenol CAS Name: 2-[4-[(2R)-3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxypropyl]-1-piperazin-4-iumyl]phenol IUPAC Name: 2-[4-[(2R)-3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxypropyl]piperazin-4-ium-1-yl]phenol Traditional Name: 2-[4-[(2R)-2-hydroxy-3-piperonyloxy-propyl]piperazin-4-ium-1-yl]phenol Formula: C21H27N2O5+ MolecularWeight: 387.44948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(COCC2=CC3=C(C=C2)OCO3)O)C4=CC=CC=C4O

Isomeric SMILES

C1CN(CC[NH+]1C[C@H](COCC2=CC3=C(C=C2)OCO3)O)C4=CC=CC=C4O

InChI

InChI=1S/C21H26N2O5/c24-17(14-26-13-16-5-6-20-21(11-16)28-15-27-20)12-22-7-9-23(10-8-22)18-3-1-2-4-19(18)25/h1-6,11,17,24-25H,7-10,12-15H2/p+1/t17-/m1/s1