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

Systemtic Name: (2R)-1-(1,3-benzodioxol-5-ylmethoxy)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propan-2-ol Openeye Name: (2R)-1-(1,3-benzodioxol-5-ylmethoxy)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propan-2-ol CAS Name: (2R)-1-(1,3-benzodioxol-5-ylmethoxy)-3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-2-propanol IUPAC Name: (2R)-1-(1,3-benzodioxol-5-ylmethoxy)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propan-2-ol Traditional Name: (2R)-1-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-3-piperonyloxy-propan-2-ol Formula: C22H29N2O5+ MolecularWeight: 401.47606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC(COCC3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)C[C@H](COCC3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C22H28N2O5/c1-26-20-5-3-18(4-6-20)24-10-8-23(9-11-24)13-19(25)15-27-14-17-2-7-21-22(12-17)29-16-28-21/h2-7,12,19,25H,8-11,13-16H2,1H3/p+1/t19-/m1/s1