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

Systemtic Name: (2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-(4-propylphenoxy)propan-2-ol Openeye Name: (2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-(4-propylphenoxy)propan-2-ol CAS Name: (2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-3-(4-propylphenoxy)-2-propanol IUPAC Name: (2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-(4-propylphenoxy)propan-2-ol Traditional Name: (2R)-1-(4-piperonylpiperazin-4-ium-1-yl)-3-(4-propylphenoxy)propan-2-ol Formula: C24H33N2O4+ MolecularWeight: 413.52982

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)OCC(CN2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

CCCC1=CC=C(C=C1)OC[C@@H](CN2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C24H32N2O4/c1-2-3-19-4-7-22(8-5-19)28-17-21(27)16-26-12-10-25(11-13-26)15-20-6-9-23-24(14-20)30-18-29-23/h4-9,14,21,27H,2-3,10-13,15-18H2,1H3/p+1/t21-/m1/s1