N-cyclopentyl-2-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]ethanoylamino]benzamide

Systemtic Name: N-cyclopentyl-2-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]ethanoylamino]benzamide Openeye Name: 2-[[2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]acetyl]amino]-N-cyclopentyl-benzamide CAS Name: N-cyclopentyl-2-[[1-oxo-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-1-iumyl]ethyl]amino]benzamide IUPAC Name: N-cyclopentyl-2-[[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]acetyl]amino]benzamide Traditional Name: 2-[[2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]acetyl]amino]-N-cyclopentyl-benzamide Formula: C27H35N4O2+ MolecularWeight: 447.5924

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCN(CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCN(CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C27H34N4O2/c32-26(29-25-15-7-6-14-24(25)27(33)28-23-12-4-5-13-23)21-31-19-17-30(18-20-31)16-8-11-22-9-2-1-3-10-22/h1-3,6-11,14-15,23H,4-5,12-13,16-21H2,(H,28,33)(H,29,32)/p+1/b11-8+