(2S)-1-(2,6-dimethylphenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propan-2-ol

Systemtic Name: (2S)-1-(2,6-dimethylphenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propan-2-ol Openeye Name: (2S)-1-(2,6-dimethylphenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propan-2-ol CAS Name: (2S)-1-(2,6-dimethylphenoxy)-3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-2-propanol IUPAC Name: (2S)-1-(2,6-dimethylphenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propan-2-ol Traditional Name: (2S)-1-(2,6-dimethylphenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propan-2-ol Formula: C22H31N2O3+ MolecularWeight: 371.49314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC(C[NH+]2CCN(CC2)C3=CC=C(C=C3)OC)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC[C@H](C[NH+]2CCN(CC2)C3=CC=C(C=C3)OC)O

InChI

InChI=1S/C22H30N2O3/c1-17-5-4-6-18(2)22(17)27-16-20(25)15-23-11-13-24(14-12-23)19-7-9-21(26-3)10-8-19/h4-10,20,25H,11-16H2,1-3H3/p+1/t20-/m0/s1