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

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

Isomeric SMILES

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

InChI

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