1-methyl-4-[3-(2-phenylmethoxyphenoxy)propyl]piperazin-1-ium

Systemtic Name: 1-methyl-4-[3-(2-phenylmethoxyphenoxy)propyl]piperazin-1-ium Openeye Name: 1-[3-(2-benzyloxyphenoxy)propyl]-4-methyl-piperazin-4-ium CAS Name: 1-methyl-4-[3-(2-phenylmethoxyphenoxy)propyl]piperazin-1-ium IUPAC Name: 1-methyl-4-[3-(2-phenylmethoxyphenoxy)propyl]piperazin-1-ium Traditional Name: 1-[3-(2-benzoxyphenoxy)propyl]-4-methyl-piperazin-4-ium Formula: C21H29N2O2+ MolecularWeight: 341.46716

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CCCOC2=CC=CC=C2OCC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)CCCOC2=CC=CC=C2OCC3=CC=CC=C3

InChI

InChI=1S/C21H28N2O2/c1-22-13-15-23(16-14-22)12-7-17-24-20-10-5-6-11-21(20)25-18-19-8-3-2-4-9-19/h2-6,8-11H,7,12-18H2,1H3/p+1