1-(4-methylphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium chloride

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium chloride Openeye Name: 1-[(E)-cinnamyl]-4-(p-tolylsulfonyl)piperazin-1-ium chloride CAS Name: 1-(4-methylphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium chloride IUPAC Name: 1-(4-methylphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium chloride Traditional Name: 1-[(E)-cinnamyl]-4-tosyl-piperazin-1-ium chloride Formula: C20H25ClN2O2S MolecularWeight: 392.9427

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC=CC3=CC=CC=C3.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C20H24N2O2S.ClH/c1-18-9-11-20(12-10-18)25(23,24)22-16-14-21(15-17-22)13-5-8-19-6-3-2-4-7-19;/h2-12H,13-17H2,1H3;1H/b8-5+;