2-[(2S)-1-(3-methylbutyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-(3-methylbutyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(E)-cinnamyl]-1-isopentyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(3-methylbutyl)-4-[(E)-3-phenylprop-2-enyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(3-methylbutyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(E)-cinnamyl]-1-isoamyl-piperazin-1-ium-2-yl]ethanol Formula: C20H33N2O+ MolecularWeight: 317.48882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[NH+]1CCN(CC1CCO)CC=CC2=CC=CC=C2

Isomeric SMILES

CC(C)CC[NH+]1CCN(C[C@@H]1CCO)C/C=C/C2=CC=CC=C2

InChI

InChI=1S/C20H32N2O/c1-18(2)10-13-22-15-14-21(17-20(22)11-16-23)12-6-9-19-7-4-3-5-8-19/h3-9,18,20,23H,10-17H2,1-2H3/p+1/b9-6+/t20-/m0/s1