(2S)-1-(4-phenylphenoxy)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propan-2-ol

Systemtic Name: (2S)-1-(4-phenylphenoxy)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propan-2-ol Openeye Name: (2S)-1-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-3-(4-phenylphenoxy)propan-2-ol CAS Name: (2S)-1-(4-phenylphenoxy)-3-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]-2-propanol IUPAC Name: (2S)-1-(4-phenylphenoxy)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propan-2-ol Traditional Name: (2S)-1-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-3-(4-phenylphenoxy)propan-2-ol Formula: C28H33N2O2+ MolecularWeight: 429.57382

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)CC(COC3=CC=C(C=C3)C4=CC=CC=C4)O

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C[C@@H](COC3=CC=C(C=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C28H32N2O2/c31-27(23-32-28-15-13-26(14-16-28)25-11-5-2-6-12-25)22-30-20-18-29(19-21-30)17-7-10-24-8-3-1-4-9-24/h1-16,27,31H,17-23H2/p+1/b10-7+/t27-/m0/s1