2-[4-[2-(3,5-dimethylphenoxy)ethyl]piperazin-4-ium-1-yl]phenol

Systemtic Name: 2-[4-[2-(3,5-dimethylphenoxy)ethyl]piperazin-4-ium-1-yl]phenol Openeye Name: 2-[4-[2-(3,5-dimethylphenoxy)ethyl]piperazin-4-ium-1-yl]phenol CAS Name: 2-[4-[2-(3,5-dimethylphenoxy)ethyl]-1-piperazin-4-iumyl]phenol IUPAC Name: 2-[4-[2-(3,5-dimethylphenoxy)ethyl]piperazin-4-ium-1-yl]phenol Traditional Name: 2-[4-[2-(3,5-dimethylphenoxy)ethyl]piperazin-4-ium-1-yl]phenol Formula: C20H27N2O2+ MolecularWeight: 327.44058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC[NH+]2CCN(CC2)C3=CC=CC=C3O)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC[NH+]2CCN(CC2)C3=CC=CC=C3O)C

InChI

InChI=1S/C20H26N2O2/c1-16-13-17(2)15-18(14-16)24-12-11-21-7-9-22(10-8-21)19-5-3-4-6-20(19)23/h3-6,13-15,23H,7-12H2,1-2H3/p+1