(2S)-1-(2,5-dimethylphenoxy)-3-(4-ethylpiperazin-4-ium-1-yl)propan-2-ol

Systemtic Name: (2S)-1-(2,5-dimethylphenoxy)-3-(4-ethylpiperazin-4-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-(2,5-dimethylphenoxy)-3-(4-ethylpiperazin-4-ium-1-yl)propan-2-ol CAS Name: (2S)-1-(2,5-dimethylphenoxy)-3-(4-ethyl-1-piperazin-4-iumyl)-2-propanol IUPAC Name: (2S)-1-(2,5-dimethylphenoxy)-3-(4-ethylpiperazin-4-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-(2,5-dimethylphenoxy)-3-(4-ethylpiperazin-4-ium-1-yl)propan-2-ol Formula: C17H29N2O2+ MolecularWeight: 293.42436

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC(COC2=C(C=CC(=C2)C)C)O

Isomeric SMILES

CC[NH+]1CCN(CC1)C[C@@H](COC2=C(C=CC(=C2)C)C)O

InChI

InChI=1S/C17H28N2O2/c1-4-18-7-9-19(10-8-18)12-16(20)13-21-17-11-14(2)5-6-15(17)3/h5-6,11,16,20H,4,7-10,12-13H2,1-3H3/p+1/t16-/m0/s1