1-(5-tert-butyl-2-methyl-phenyl)sulfonyl-4-ethyl-piperazin-4-ium

Systemtic Name: 1-(5-tert-butyl-2-methyl-phenyl)sulfonyl-4-ethyl-piperazin-4-ium Openeye Name: 1-(5-tert-butyl-2-methyl-phenyl)sulfonyl-4-ethyl-piperazin-4-ium CAS Name: 1-(5-tert-butyl-2-methylphenyl)sulfonyl-4-ethylpiperazin-4-ium IUPAC Name: 1-(5-tert-butyl-2-methylphenyl)sulfonyl-4-ethylpiperazin-4-ium Traditional Name: 1-(5-tert-butyl-2-methyl-phenyl)sulfonyl-4-ethyl-piperazin-4-ium Formula: C17H29N2O2S+ MolecularWeight: 325.48936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(C)(C)C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(C)(C)C)C

InChI

InChI=1S/C17H28N2O2S/c1-6-18-9-11-19(12-10-18)22(20,21)16-13-15(17(3,4)5)8-7-14(16)2/h7-8,13H,6,9-12H2,1-5H3/p+1