1-[(2R)-4-phenylbutan-2-yl]-4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium

Systemtic Name: 1-[(2R)-4-phenylbutan-2-yl]-4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium Openeye Name: 1-[(E)-cinnamyl]-4-[(1R)-1-methyl-3-phenyl-propyl]piperazin-4-ium CAS Name: 1-[(2R)-4-phenylbutan-2-yl]-4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium IUPAC Name: 1-[(2R)-4-phenylbutan-2-yl]-4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium Traditional Name: 1-[(E)-cinnamyl]-4-[(1R)-1-methyl-3-phenyl-propyl]piperazin-4-ium Formula: C23H31N2+ MolecularWeight: 335.50564

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)[NH+]2CCN(CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)[NH+]2CCN(CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C23H30N2/c1-21(14-15-23-11-6-3-7-12-23)25-19-17-24(18-20-25)16-8-13-22-9-4-2-5-10-22/h2-13,21H,14-20H2,1H3/p+1/b13-8+/t21-/m1/s1