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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C23H27N3O3/c1-29-23(28)20-11-5-6-12-21(20)24-22(27)18-26-16-14-25(15-17-26)13-7-10-19-8-3-2-4-9-19/h2-12H,13-18H2,1H3,(H,24,27)/p+1/b10-7+