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

Systemtic Name: 2-[(2S)-1-(2-methylpropyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(E)-cinnamyl]-1-isobutyl-piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(2-methylpropyl)-4-[(E)-3-phenylprop-2-enyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(2-methylpropyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(E)-cinnamyl]-1-isobutyl-piperazin-4-ium-2-yl]ethanol Formula: C19H31N2O+ MolecularWeight: 303.46224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N2O/c1-17(2)15-21-13-12-20(16-19(21)10-14-22)11-6-9-18-7-4-3-5-8-18/h3-9,17,19,22H,10-16H2,1-2H3/p+1/b9-6+/t19-/m0/s1