1-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-4-ium

Systemtic Name: 1-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-4-ium Openeye Name: 1-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-4-ium CAS Name: 1-(4-tert-butyl-2,6-dimethylphenyl)sulfonylpiperazin-4-ium IUPAC Name: 1-(4-tert-butyl-2,6-dimethylphenyl)sulfonylpiperazin-4-ium Traditional Name: 1-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-4-ium Formula: C16H27N2O2S+ MolecularWeight: 311.46278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)N2CC[NH2+]CC2)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)N2CC[NH2+]CC2)C)C(C)(C)C

InChI

InChI=1S/C16H26N2O2S/c1-12-10-14(16(3,4)5)11-13(2)15(12)21(19,20)18-8-6-17-7-9-18/h10-11,17H,6-9H2,1-5H3/p+1