1-[(E)-3-phenylprop-2-enyl]-4-thiophen-2-ylsulfonyl-piperazin-1-ium chloride

Systemtic Name: 1-[(E)-3-phenylprop-2-enyl]-4-thiophen-2-ylsulfonyl-piperazin-1-ium chloride Openeye Name: 1-[(E)-cinnamyl]-4-(2-thienylsulfonyl)piperazin-1-ium chloride CAS Name: 1-[(E)-3-phenylprop-2-enyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium chloride IUPAC Name: 1-[(E)-3-phenylprop-2-enyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium chloride Traditional Name: 1-[(E)-cinnamyl]-4-(2-thienylsulfonyl)piperazin-1-ium chloride Formula: C17H21ClN2O2S2 MolecularWeight: 384.94384

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)S(=O)(=O)C3=CC=CS3.[Cl-]

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)S(=O)(=O)C3=CC=CS3.[Cl-]

InChI

InChI=1S/C17H20N2O2S2.ClH/c20-23(21,17-9-5-15-22-17)19-13-11-18(12-14-19)10-4-8-16-6-2-1-3-7-16;/h1-9,15H,10-14H2;1H/b8-4+;