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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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