(2S)-N-(4-ethanoylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(4-ethanoylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(4-acetylphenyl)-2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(4-acetylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(4-acetylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(4-acetylphenyl)-2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]propionamide Formula: C24H30N3O2+ MolecularWeight: 392.5139

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)[NH+]2CCN(CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(=O)C)[NH+]2CCN(CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C24H29N3O2/c1-19(24(29)25-23-12-10-22(11-13-23)20(2)28)27-17-15-26(16-18-27)14-6-9-21-7-4-3-5-8-21/h3-13,19H,14-18H2,1-2H3,(H,25,29)/p+1/b9-6+/t19-/m0/s1