1-[(E)-3-phenylprop-2-enyl]-4-(2,4,6-trimethylphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(E)-3-phenylprop-2-enyl]-4-(2,4,6-trimethylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(E)-cinnamyl]-4-(2,4,6-trimethylphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(E)-3-phenylprop-2-enyl]-4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(E)-3-phenylprop-2-enyl]-4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-[(E)-cinnamyl]-4-mesitylsulfonyl-piperazin-1-ium Formula: C22H29N2O2S+ MolecularWeight: 385.54286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O2S/c1-18-16-19(2)22(20(3)17-18)27(25,26)24-14-12-23(13-15-24)11-7-10-21-8-5-4-6-9-21/h4-10,16-17H,11-15H2,1-3H3/p+1/b10-7+