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

Systemtic Name: 1-methyl-4-[3-(4-phenylmethoxyphenoxy)propyl]piperazin-1-ium Openeye Name: 1-[3-(4-benzyloxyphenoxy)propyl]-4-methyl-piperazin-4-ium CAS Name: 1-methyl-4-[3-(4-phenylmethoxyphenoxy)propyl]piperazin-1-ium IUPAC Name: 1-methyl-4-[3-(4-phenylmethoxyphenoxy)propyl]piperazin-1-ium Traditional Name: 1-[3-(4-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=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

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

InChI

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