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

Systemtic Name: 2-[(2S)-1-(cyclohexylmethyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(E)-cinnamyl]-1-(cyclohexylmethyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(cyclohexylmethyl)-4-[(E)-3-phenylprop-2-enyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(cyclohexylmethyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(E)-cinnamyl]-1-(cyclohexylmethyl)piperazin-1-ium-2-yl]ethanol Formula: C22H35N2O+ MolecularWeight: 343.5261

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C[NH+]2CCN(CC2CCO)CC=CC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)C[NH+]2CCN(C[C@@H]2CCO)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H34N2O/c25-17-13-22-19-23(14-7-12-20-8-3-1-4-9-20)15-16-24(22)18-21-10-5-2-6-11-21/h1,3-4,7-9,12,21-22,25H,2,5-6,10-11,13-19H2/p+1/b12-7+/t22-/m0/s1