phenyl 2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]ethanesulfonate

Systemtic Name: phenyl 2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]ethanesulfonate Openeye Name: phenyl 2-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]ethanesulfonate CAS Name: 2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazine-1,4-diiumyl]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]ethanesulfonate Traditional Name: 2-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]ethanesulfonic acid phenyl ester Formula: C21H28N2O3S+2 MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CCS(=O)(=O)OC2=CC=CC=C2)CC=CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CC[NH+]1CCS(=O)(=O)OC2=CC=CC=C2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H26N2O3S/c24-27(25,26-21-11-5-2-6-12-21)19-18-23-16-14-22(15-17-23)13-7-10-20-8-3-1-4-9-20/h1-12H,13-19H2/p+2/b10-7+