N-[(1R)-1-phenylbutyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-[(1R)-1-phenylbutyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: 2-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]-N-[(1R)-1-phenylbutyl]acetamide CAS Name: N-[(1R)-1-phenylbutyl]-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-[(1R)-1-phenylbutyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: 2-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]-N-[(1R)-1-phenylbutyl]acetamide Formula: C25H35N3O+2 MolecularWeight: 393.5649

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O/c1-2-10-24(23-14-7-4-8-15-23)26-25(29)21-28-19-17-27(18-20-28)16-9-13-22-11-5-3-6-12-22/h3-9,11-15,24H,2,10,16-21H2,1H3,(H,26,29)/p+2/b13-9+/t24-/m1/s1