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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1CC[NH+](CC1CCO)CC=CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)CN1CC[NH+](C[C@@H]1CCO)C/C=C/C2=CC=CC=C2

InChI

InChI=1S/C20H32N2O/c1-20(2,3)17-22-14-13-21(16-19(22)11-15-23)12-7-10-18-8-5-4-6-9-18/h4-10,19,23H,11-17H2,1-3H3/p+1/b10-7+/t19-/m0/s1