(2S)-1-(2,5-dimethylphenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propan-2-ol

Systemtic Name: (2S)-1-(2,5-dimethylphenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propan-2-ol Openeye Name: (2S)-1-(2,5-dimethylphenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propan-2-ol CAS Name: (2S)-1-(2,5-dimethylphenoxy)-3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-2-propanol IUPAC Name: (2S)-1-(2,5-dimethylphenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propan-2-ol Traditional Name: (2S)-1-(2,5-dimethylphenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propan-2-ol Formula: C22H31N2O3+ MolecularWeight: 371.49314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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