1-(2,5-dimethylphenyl)sulfonyl-4-phenethyl-piperazin-4-ium

Systemtic Name: 1-(2,5-dimethylphenyl)sulfonyl-4-phenethyl-piperazin-4-ium Openeye Name: 1-(2,5-dimethylphenyl)sulfonyl-4-phenethyl-piperazin-4-ium CAS Name: 1-(2,5-dimethylphenyl)sulfonyl-4-phenethylpiperazin-4-ium IUPAC Name: 1-(2,5-dimethylphenyl)sulfonyl-4-phenethylpiperazin-4-ium Traditional Name: 1-(2,5-dimethylphenyl)sulfonyl-4-phenethyl-piperazin-4-ium Formula: C20H27N2O2S+ MolecularWeight: 359.50558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C20H26N2O2S/c1-17-8-9-18(2)20(16-17)25(23,24)22-14-12-21(13-15-22)11-10-19-6-4-3-5-7-19/h3-9,16H,10-15H2,1-2H3/p+1