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

Systemtic Name: 1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]-4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium Openeye Name: 1-[(E)-cinnamyl]-4-[(1S)-3-(4-methoxyphenyl)-1-methyl-propyl]piperazin-4-ium CAS Name: 1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]-4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium IUPAC Name: 1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]-4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium Traditional Name: 1-[(E)-cinnamyl]-4-[(1S)-3-(4-methoxyphenyl)-1-methyl-propyl]piperazin-4-ium Formula: C24H33N2O+ MolecularWeight: 365.53162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N2O/c1-21(10-11-23-12-14-24(27-2)15-13-23)26-19-17-25(18-20-26)16-6-9-22-7-4-3-5-8-22/h3-9,12-15,21H,10-11,16-20H2,1-2H3/p+1/b9-6+/t21-/m0/s1