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

Systemtic Name: 1-[(2S)-1-(3,4-dimethoxyphenyl)propan-2-yl]-4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium Openeye Name: 1-[(E)-cinnamyl]-4-[(1S)-2-(3,4-dimethoxyphenyl)-1-methyl-ethyl]piperazin-4-ium CAS Name: 1-[(2S)-1-(3,4-dimethoxyphenyl)propan-2-yl]-4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium IUPAC Name: 1-[(2S)-1-(3,4-dimethoxyphenyl)propan-2-yl]-4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium Traditional Name: 1-[(E)-cinnamyl]-4-[(1S)-2-(3,4-dimethoxyphenyl)-1-methyl-ethyl]piperazin-4-ium Formula: C24H33N2O2+ MolecularWeight: 381.53102

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=C(C=C1)OC)OC)[NH+]2CCN(CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

C[C@@H](CC1=CC(=C(C=C1)OC)OC)[NH+]2CCN(CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C24H32N2O2/c1-20(18-22-11-12-23(27-2)24(19-22)28-3)26-16-14-25(15-17-26)13-7-10-21-8-5-4-6-9-21/h4-12,19-20H,13-18H2,1-3H3/p+1/b10-7+/t20-/m0/s1