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

Systemtic Name: (2S)-1-(3,5-dimethylphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propan-2-ol Openeye Name: (2S)-1-(3,5-dimethylphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propan-2-ol CAS Name: (2S)-1-(3,5-dimethylphenoxy)-3-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-2-propanol IUPAC Name: (2S)-1-(3,5-dimethylphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propan-2-ol Traditional Name: (2S)-1-(3,5-dimethylphenoxy)-3-[4-(2-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(=CC(=C1)OCC(C[NH+]2CCN(CC2)C3=CC=CC=C3OC)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC[C@H](C[NH+]2CCN(CC2)C3=CC=CC=C3OC)O)C

InChI

InChI=1S/C22H30N2O3/c1-17-12-18(2)14-20(13-17)27-16-19(25)15-23-8-10-24(11-9-23)21-6-4-5-7-22(21)26-3/h4-7,12-14,19,25H,8-11,15-16H2,1-3H3/p+1/t19-/m0/s1