(2R)-1-(2,6-dimethoxyphenoxy)-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-ol

Systemtic Name: (2R)-1-(2,6-dimethoxyphenoxy)-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-ol Openeye Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(2,6-dimethoxyphenoxy)propan-2-ol CAS Name: (2R)-1-(2,6-dimethoxyphenoxy)-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-propanol IUPAC Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(2,6-dimethoxyphenoxy)propan-2-ol Traditional Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(2,6-dimethoxyphenoxy)propan-2-ol Formula: C22H31N2O4+ MolecularWeight: 387.49254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)OCC(CN2CC[NH+](CC2)CC3=CC=CC=C3)O

Isomeric SMILES

COC1=C(C(=CC=C1)OC)OC[C@@H](CN2CC[NH+](CC2)CC3=CC=CC=C3)O

InChI

InChI=1S/C22H30N2O4/c1-26-20-9-6-10-21(27-2)22(20)28-17-19(25)16-24-13-11-23(12-14-24)15-18-7-4-3-5-8-18/h3-10,19,25H,11-17H2,1-2H3/p+1/t19-/m1/s1