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

Systemtic Name: N-cyclopropyl-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-cyclopropyl-benzamide CAS Name: N-cyclopropyl-2-[[1-oxo-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-1-iumyl]ethyl]amino]benzamide IUPAC Name: N-cyclopropyl-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-cyclopropyl-benzamide Formula: C25H31N4O2+ MolecularWeight: 419.53924

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCN(CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

C1CC1NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCN(CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C25H30N4O2/c30-24(27-23-11-5-4-10-22(23)25(31)26-21-12-13-21)19-29-17-15-28(16-18-29)14-6-9-20-7-2-1-3-8-20/h1-11,21H,12-19H2,(H,26,31)(H,27,30)/p+1/b9-6+