1-ethyl-4-[3-(4-phenylmethoxyphenoxy)propyl]piperazin-1-ium

Systemtic Name: 1-ethyl-4-[3-(4-phenylmethoxyphenoxy)propyl]piperazin-1-ium Openeye Name: 1-[3-(4-benzyloxyphenoxy)propyl]-4-ethyl-piperazin-4-ium CAS Name: 1-ethyl-4-[3-(4-phenylmethoxyphenoxy)propyl]piperazin-1-ium IUPAC Name: 1-ethyl-4-[3-(4-phenylmethoxyphenoxy)propyl]piperazin-1-ium Traditional Name: 1-[3-(4-benzoxyphenoxy)propyl]-4-ethyl-piperazin-4-ium Formula: C22H31N2O2+ MolecularWeight: 355.49374

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CCCOC2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CC[NH+]1CCN(CC1)CCCOC2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C22H30N2O2/c1-2-23-14-16-24(17-15-23)13-6-18-25-21-9-11-22(12-10-21)26-19-20-7-4-3-5-8-20/h3-5,7-12H,2,6,13-19H2,1H3/p+1