(2R)-1-(3,4-dimethylphenoxy)-3-(4-ethylpiperazine-1,4-diium-1-yl)propan-2-ol

Systemtic Name: (2R)-1-(3,4-dimethylphenoxy)-3-(4-ethylpiperazine-1,4-diium-1-yl)propan-2-ol Openeye Name: (2R)-1-(3,4-dimethylphenoxy)-3-(4-ethylpiperazine-1,4-diium-1-yl)propan-2-ol CAS Name: (2R)-1-(3,4-dimethylphenoxy)-3-(4-ethyl-1-piperazine-1,4-diiumyl)-2-propanol IUPAC Name: (2R)-1-(3,4-dimethylphenoxy)-3-(4-ethylpiperazine-1,4-diium-1-yl)propan-2-ol Traditional Name: (2R)-1-(3,4-dimethylphenoxy)-3-(4-ethylpiperazine-1,4-diium-1-yl)propan-2-ol Formula: C17H30N2O2+2 MolecularWeight: 294.4323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2O2/c1-4-18-7-9-19(10-8-18)12-16(20)13-21-17-6-5-14(2)15(3)11-17/h5-6,11,16,20H,4,7-10,12-13H2,1-3H3/p+2/t16-/m1/s1