4-methylbenzenesulfonate; 1-[(E)-3-phenylprop-2-enyl]piperazine

Systemtic Name: 4-methylbenzenesulfonate; 1-[(E)-3-phenylprop-2-enyl]piperazine Openeye Name: 1-[(E)-cinnamyl]piperazine; 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonate; 1-[(E)-3-phenylprop-2-enyl]piperazine IUPAC Name: 4-methylbenzenesulfonate; 1-[(E)-3-phenylprop-2-enyl]piperazine Traditional Name: 1-[(E)-cinnamyl]piperazine tosylate Formula: C20H25N2O3S- MolecularWeight: 373.4891

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CN(CCN1)CC=CC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CN(CCN1)C/C=C/C2=CC=CC=C2

InChI

InChI=1S/C13H18N2.C7H8O3S/c1-2-5-13(6-3-1)7-4-10-15-11-8-14-9-12-15;1-6-2-4-7(5-3-6)11(8,9)10/h1-7,14H,8-12H2;2-5H,1H3,(H,8,9,10)/p-1/b7-4+;