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

Systemtic Name: N-(2-methoxyphenyl)-4-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]ethanoylamino]benzamide Openeye Name: 4-[[2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]acetyl]amino]-N-(2-methoxyphenyl)benzamide CAS Name: N-(2-methoxyphenyl)-4-[[1-oxo-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-1-iumyl]ethyl]amino]benzamide IUPAC Name: N-(2-methoxyphenyl)-4-[[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]acetyl]amino]benzamide Traditional Name: 4-[[2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]acetyl]amino]-N-(2-methoxyphenyl)benzamide Formula: C29H33N4O3+ MolecularWeight: 485.59732

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NC(=O)C[NH+]3CCN(CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NC(=O)C[NH+]3CCN(CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C29H32N4O3/c1-36-27-12-6-5-11-26(27)31-29(35)24-13-15-25(16-14-24)30-28(34)22-33-20-18-32(19-21-33)17-7-10-23-8-3-2-4-9-23/h2-16H,17-22H2,1H3,(H,30,34)(H,31,35)/p+1/b10-7+