1-[2-(2,5-dimethylphenoxy)ethyl]-4-(phenylsulfonyl)piperazin-1-ium

Systemtic Name: 1-[2-(2,5-dimethylphenoxy)ethyl]-4-(phenylsulfonyl)piperazin-1-ium Openeye Name: 1-(benzenesulfonyl)-4-[2-(2,5-dimethylphenoxy)ethyl]piperazin-4-ium CAS Name: 1-(benzenesulfonyl)-4-[2-(2,5-dimethylphenoxy)ethyl]piperazin-4-ium IUPAC Name: 1-(benzenesulfonyl)-4-[2-(2,5-dimethylphenoxy)ethyl]piperazin-4-ium Traditional Name: 1-besyl-4-[2-(2,5-dimethylphenoxy)ethyl]piperazin-4-ium Formula: C20H27N2O3S+ MolecularWeight: 375.50498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H26N2O3S/c1-17-8-9-18(2)20(16-17)25-15-14-21-10-12-22(13-11-21)26(23,24)19-6-4-3-5-7-19/h3-9,16H,10-15H2,1-2H3/p+1