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

Systemtic Name: 1-ethyl-4-[3-(4-phenylphenoxy)propyl]piperazin-1-ium Openeye Name: 1-ethyl-4-[3-(4-phenylphenoxy)propyl]piperazin-1-ium CAS Name: 1-ethyl-4-[3-(4-phenylphenoxy)propyl]piperazin-1-ium IUPAC Name: 1-ethyl-4-[3-(4-phenylphenoxy)propyl]piperazin-1-ium Traditional Name: 1-ethyl-4-[3-(4-phenylphenoxy)propyl]piperazin-1-ium Formula: C21H29N2O+ MolecularWeight: 325.46776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O/c1-2-22-14-16-23(17-15-22)13-6-18-24-21-11-9-20(10-12-21)19-7-4-3-5-8-19/h3-5,7-12H,2,6,13-18H2,1H3/p+1