ethyl 2-[2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]ethanoylamino]benzoate

Systemtic Name: ethyl 2-[2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]ethanoylamino]benzoate Openeye Name: ethyl 2-[[2-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]acetyl]amino]benzoate CAS Name: 2-[[1-oxo-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazine-1,4-diiumyl]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]acetyl]amino]benzoate Traditional Name: 2-[[2-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]acetyl]amino]benzoic acid ethyl ester Formula: C24H31N3O3+2 MolecularWeight: 409.52124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O3/c1-2-30-24(29)21-12-6-7-13-22(21)25-23(28)19-27-17-15-26(16-18-27)14-8-11-20-9-4-3-5-10-20/h3-13H,2,14-19H2,1H3,(H,25,28)/p+2/b11-8+