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

Systemtic Name: propan-2-yl 4-[2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]ethanoylamino]benzoate Openeye Name: isopropyl 4-[[2-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazine-1,4-diiumyl]ethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]acetyl]amino]benzoic acid isopropyl ester Formula: C25H33N3O3+2 MolecularWeight: 423.54782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O3/c1-20(2)31-25(30)22-10-12-23(13-11-22)26-24(29)19-28-17-15-27(16-18-28)14-6-9-21-7-4-3-5-8-21/h3-13,20H,14-19H2,1-2H3,(H,26,29)/p+2/b9-6+