methyl 4-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-1-iumyl]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]acetyl]amino]benzoic acid methyl ester Formula: C23H28N3O3+ MolecularWeight: 394.48672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O3/c1-29-23(28)20-9-11-21(12-10-20)24-22(27)18-26-16-14-25(15-17-26)13-5-8-19-6-3-2-4-7-19/h2-12H,13-18H2,1H3,(H,24,27)/p+1/b8-5+