N-ethyl-3-[2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]ethanoylamino]benzamide

Systemtic Name: N-ethyl-3-[2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]ethanoylamino]benzamide Openeye Name: 3-[[2-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]acetyl]amino]-N-ethyl-benzamide CAS Name: N-ethyl-3-[[1-oxo-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazine-1,4-diiumyl]ethyl]amino]benzamide IUPAC Name: N-ethyl-3-[[2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]acetyl]amino]benzamide Traditional Name: 3-[[2-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]acetyl]amino]-N-ethyl-benzamide Formula: C24H32N4O2+2 MolecularWeight: 408.53648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N4O2/c1-2-25-24(30)21-11-6-12-22(18-21)26-23(29)19-28-16-14-27(15-17-28)13-7-10-20-8-4-3-5-9-20/h3-12,18H,2,13-17,19H2,1H3,(H,25,30)(H,26,29)/p+2/b10-7+