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

Systemtic Name: (2R)-1-(1,3-benzodioxol-5-yloxy)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propan-2-ol Openeye Name: (2R)-1-(1,3-benzodioxol-5-yloxy)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propan-2-ol CAS Name: (2R)-1-(1,3-benzodioxol-5-yloxy)-3-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-2-propanol IUPAC Name: (2R)-1-(1,3-benzodioxol-5-yloxy)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propan-2-ol Traditional Name: (2R)-1-(1,3-benzodioxol-5-yloxy)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propan-2-ol Formula: C21H27N2O5+ MolecularWeight: 387.44948

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)CC(COC3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)C[C@H](COC3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C21H26N2O5/c1-25-19-5-3-2-4-18(19)23-10-8-22(9-11-23)13-16(24)14-26-17-6-7-20-21(12-17)28-15-27-20/h2-7,12,16,24H,8-11,13-15H2,1H3/p+1/t16-/m1/s1